trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

C9H14F2N2O3S — CID 66800467

IUPACtrans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
SMILESCC1(S(=O)(=O)NC(=O)[C@@]2(N)C[C@H]2C(F)F)CC1
InChIInChI=1S/C9H14F2N2O3S/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)/t5-,9+/m0/s1
InChIKeyUHBJPNXGJDBGEK-SSDLBLMSSA-N
MW268.28 g/mol
LogP-0.03
Rot. Bonds4

About trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 66800467) has the molecular formula C9H14F2N2O3S and a molecular weight of 268.28 g/mol. Its IUPAC name is trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
PubChem CID66800467
Molecular FormulaC9H14F2N2O3S
Molecular Weight268.28 g/mol
Exact Mass268.07
IUPAC Nametrans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
SMILESCC1(S(=O)(=O)NC(=O)[C@@]2(N)C[C@H]2C(F)F)CC1
InChIInChI=1S/C9H14F2N2O3S/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)/t5-,9+/m0/s1
InChIKeyUHBJPNXGJDBGEK-SSDLBLMSSA-N
XLogP-0.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide (CID 66800467) is trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide is CC1(S(=O)(=O)NC(=O)[C@@]2(N)C[C@H]2C(F)F)CC1.
What is the InChIKey of trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is UHBJPNXGJDBGEK-SSDLBLMSSA-N. The full InChI is InChI=1S/C9H14F2N2O3S/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)/t5-,9+/m0/s1.
What are the key properties of trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 268.28 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 66800467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).