N-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide

C10H14F2N2O3S2 — CID 119495837

IUPACN-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide
SMILESCC(N)CCNC(=O)c1sccc1S(=O)(=O)C(F)F
InChIInChI=1S/C10H14F2N2O3S2/c1-6(13)2-4-14-9(15)8-7(3-5-18-8)19(16,17)10(11)12/h3,5-6,10H,2,4,13H2,1H3,(H,14,15)
InChIKeyKXOSCTLGOPZXSB-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.21
Rot. Bonds6

About N-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide

N-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide (PubChem CID 119495837) has the molecular formula C10H14F2N2O3S2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide
PubChem CID119495837
Molecular FormulaC10H14F2N2O3S2
Molecular Weight312.36 g/mol
Exact Mass312.04
IUPAC NameN-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide
SMILESCC(N)CCNC(=O)c1sccc1S(=O)(=O)C(F)F
InChIInChI=1S/C10H14F2N2O3S2/c1-6(13)2-4-14-9(15)8-7(3-5-18-8)19(16,17)10(11)12/h3,5-6,10H,2,4,13H2,1H3,(H,14,15)
InChIKeyKXOSCTLGOPZXSB-UHFFFAOYSA-N
XLogP1.21
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
CID 119497469
N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119494952
3-[[3-(difluoromethylsulfonyl)thiophene-2-carbonyl]-methylamino]propanoic acid
CID 119362638
3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119450494
3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide
CID 111433716
N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide
CID 80506631
N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide
CID 119499716
3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
CID 115324411
N-(3-aminobutyl)-4-methylsulfonylbenzamide;hydrochloride
CID 119499324
N-(3-aminobutyl)-2-propylsulfonylbenzamide
CID 119498167
N-(3-aminobutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 63254083
3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120553430

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide (CID 119495837) is N-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide is CC(N)CCNC(=O)c1sccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide?
The InChIKey is KXOSCTLGOPZXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O3S2/c1-6(13)2-4-14-9(15)8-7(3-5-18-8)19(16,17)10(11)12/h3,5-6,10H,2,4,13H2,1H3,(H,14,15).
What are the key properties of N-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide?
N-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide is sourced from PubChem (CID 119495837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).