2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine

C14H20F2N2O2S — CID 103894507

IUPAC2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine
SMILESCC(CNc1ccc(S(=O)(=O)C(F)F)cc1)N(C)C1CC1
InChIInChI=1S/C14H20F2N2O2S/c1-10(18(2)12-5-6-12)9-17-11-3-7-13(8-4-11)21(19,20)14(15)16/h3-4,7-8,10,12,14,17H,5-6,9H2,1-2H3
InChIKeyNHORJAMXLZWEFW-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.58
Rot. Bonds7

About 2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine

2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine (PubChem CID 103894507) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine
PubChem CID103894507
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine
SMILESCC(CNc1ccc(S(=O)(=O)C(F)F)cc1)N(C)C1CC1
InChIInChI=1S/C14H20F2N2O2S/c1-10(18(2)12-5-6-12)9-17-11-3-7-13(8-4-11)21(19,20)14(15)16/h3-4,7-8,10,12,14,17H,5-6,9H2,1-2H3
InChIKeyNHORJAMXLZWEFW-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 115591435
4-(difluoromethylsulfonyl)-N-(2-methylbutyl)aniline
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CID 62977988
4-(difluoromethylsulfonyl)-N-(2-propan-2-yloxyethyl)aniline
CID 104576936
4-(difluoromethylsulfonyl)-N-(3-ethoxypropyl)aniline
CID 43455318
2-[cyclopropyl-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl]amino]propanoic acid
CID 122100767
3-[[4-(difluoromethylsulfonyl)anilino]methyl]-5-methylhexan-1-ol
CID 111515648
4-(difluoromethylsulfonyl)-N-prop-2-ynylaniline
CID 62140889
4-(difluoromethylsulfonyl)-N-(3,3-dimethylbutyl)aniline
CID 60966150
N'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
CID 62980103
4-(difluoromethylsulfonyl)-N-(oxan-4-ylmethyl)aniline
CID 62350308
4-(difluoromethylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]aniline
CID 43455316

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine (CID 103894507) is 2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine is CC(CNc1ccc(S(=O)(=O)C(F)F)cc1)N(C)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine?
The InChIKey is NHORJAMXLZWEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-10(18(2)12-5-6-12)9-17-11-3-7-13(8-4-11)21(19,20)14(15)16/h3-4,7-8,10,12,14,17H,5-6,9H2,1-2H3.
What are the key properties of 2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine?
2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine has a molecular weight of 318.39 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103894507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).