1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide

C9H14F2N2O3S — CID 68633715

IUPAC1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NS(=O)(=O)C2CC2)CC1CC(F)F
InChIInChI=1S/C9H14F2N2O3S/c10-7(11)3-5-4-9(5,12)8(14)13-17(15,16)6-1-2-6/h5-7H,1-4,12H2,(H,13,14)
InChIKeyWLTTYRKDAAZNIE-UHFFFAOYSA-N
MW268.28 g/mol
LogP-0.03
Rot. Bonds5

About 1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide

1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide (PubChem CID 68633715) has the molecular formula C9H14F2N2O3S and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide
PubChem CID68633715
Molecular FormulaC9H14F2N2O3S
Molecular Weight268.28 g/mol
Exact Mass268.07
IUPAC Name1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NS(=O)(=O)C2CC2)CC1CC(F)F
InChIInChI=1S/C9H14F2N2O3S/c10-7(11)3-5-4-9(5,12)8(14)13-17(15,16)6-1-2-6/h5-7H,1-4,12H2,(H,13,14)
InChIKeyWLTTYRKDAAZNIE-UHFFFAOYSA-N
XLogP-0.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

Cyclopropanecarboxamide, 1-amino-2-(difluoromethyl)-N-((1-methylcyclopropyl)sulfonyl)-, (1R,2R)-
CID 66800467
(1R,2R)-1-amino-2-difluoromethyl)-N-(1-methylcyclopropylsulfonyl)cyclo propanecarboxyamide hydrochloride
CID 138111956
(1R,2R)-1-amino-N-(cyclopropylsulfonyl)-2-ethylcyclopropanecarboxamide
CID 53465517
(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
N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide
CID 67259780
(1S,2R)-N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide
CID 68033107
(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-[(1R)-2,2-difluorocyclopropyl]cyclopropane-1-carboxamide
CID 68183008
1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 77169289
trans-(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-(2-fluoroethyl)cyclopropane-1-carboxamide
CID 89929562
trans-(1R,2S)-1-amino-2-(2-fluoroethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 89929563

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide (CID 68633715) is 1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide is NC1(C(=O)NS(=O)(=O)C2CC2)CC1CC(F)F.
What is the InChIKey of 1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is WLTTYRKDAAZNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3S/c10-7(11)3-5-4-9(5,12)8(14)13-17(15,16)6-1-2-6/h5-7H,1-4,12H2,(H,13,14).
What are the key properties of 1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide?
1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 268.28 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-cyclopropylsulfonyl-2-(2,2-difluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 68633715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).