(1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride

C9H15ClF2N2O3S — CID 138111956

IUPAC(1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride
SMILESCC1(S(=O)(=O)NC(=O)[C@@]2(N)CC2C(F)F)CC1.Cl
InChIInChI=1S/C9H14F2N2O3S.ClH/c1-8(2-3-8)17(15,16)13-7(14)9(12)4-5(9)6(10)11;/h5-6H,2-4,12H2,1H3,(H,13,14);1H/t5?,9-;/m1./s1
InChIKeyUZYZCUJUQSFVGK-KXTVEGCXSA-N
MW304.75 g/mol
LogP0.39
Rot. Bonds4

About (1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride

(1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 138111956) has the molecular formula C9H15ClF2N2O3S and a molecular weight of 304.75 g/mol. Its IUPAC name is (1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride
PubChem CID138111956
Molecular FormulaC9H15ClF2N2O3S
Molecular Weight304.75 g/mol
Exact Mass304.05
IUPAC Name(1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride
SMILESCC1(S(=O)(=O)NC(=O)[C@@]2(N)CC2C(F)F)CC1.Cl
InChIInChI=1S/C9H14F2N2O3S.ClH/c1-8(2-3-8)17(15,16)13-7(14)9(12)4-5(9)6(10)11;/h5-6H,2-4,12H2,1H3,(H,13,14);1H/t5?,9-;/m1./s1
InChIKeyUZYZCUJUQSFVGK-KXTVEGCXSA-N
XLogP0.39
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclopropanecarboxamide, 1-amino-2-(difluoromethyl)-N-((1-methylcyclopropyl)sulfonyl)-, (1R,2R)-
CID 66800467
(1R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide
CID 57740216
(1R,2R)-1-Amino-N-(cyclopropylsulfonyl)-2-(difluoromethyl)cyclopropane-1-carboxamide
CID 57740223
1-amino-N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide
CID 57814205
(1R,2S)-1-amino-N-(cyclopropylsulfonyl)-2-(2,2-difluoroethyl)cyclopropanecarboxamide
CID 57945187
1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide
CID 68633715
trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-methylsulfonylcyclopropane-1-carboxamide
CID 70997542
1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 77169289
trans-(1R,2R)-1-(chloroamino)-2-(fluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 88568013
trans-(1R,2S)-1-amino-2-(2-fluoroethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 89929563
(1R,2S)-1-amino-2-(2,2-difluoroethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 89929565
(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-fluorocyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 89929569

Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of (1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride (CID 138111956) is (1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for (1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride is CC1(S(=O)(=O)NC(=O)[C@@]2(N)CC2C(F)F)CC1.Cl.
What is the InChIKey of (1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is UZYZCUJUQSFVGK-KXTVEGCXSA-N. The full InChI is InChI=1S/C9H14F2N2O3S.ClH/c1-8(2-3-8)17(15,16)13-7(14)9(12)4-5(9)6(10)11;/h5-6H,2-4,12H2,1H3,(H,13,14);1H/t5?,9-;/m1./s1.
What are the key properties of (1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride?
(1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 304.75 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 138111956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).