N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine

C10H17NO2S2 — CID 117037755

IUPACN,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine
SMILESCNCC(C(C)C)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H17NO2S2/c1-8(2)9(7-11-3)15(12,13)10-5-4-6-14-10/h4-6,8-9,11H,7H2,1-3H3
InChIKeyNEGVLPIKFCPUKI-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.77
Rot. Bonds5

About N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine

N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine (PubChem CID 117037755) has the molecular formula C10H17NO2S2 and a molecular weight of 247.38 g/mol. Its IUPAC name is N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine
PubChem CID117037755
Molecular FormulaC10H17NO2S2
Molecular Weight247.38 g/mol
Exact Mass247.07
IUPAC NameN,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine
SMILESCNCC(C(C)C)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H17NO2S2/c1-8(2)9(7-11-3)15(12,13)10-5-4-6-14-10/h4-6,8-9,11H,7H2,1-3H3
InChIKeyNEGVLPIKFCPUKI-UHFFFAOYSA-N
XLogP1.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-ylsulfonylthiophene
CID 22953694
2-(1-ethylsulfonylethylsulfonyl)thiophene
CID 11651901
3-thiophen-2-ylsulfonylbutan-2-amine
CID 64645795
N,3-dimethyl-2-(3-methylphenyl)sulfonylbutan-1-amine
CID 117037756
3-thiophen-2-ylsulfonylbutan-2-one
CID 64642163
2-(difluoromethylsulfonyl)thiophene
CID 82076235
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-(1-iodo-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 107860243
2-methyl-3-thiophen-2-ylsulfonylbutanoic acid
CID 79391486
1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine
CID 167148661
N-methylthiophene-2-sulfonamide;molecular hydrogen
CID 143039868
thiophene-2-(18F)sulfonyl fluoride
CID 72736656

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine?
The IUPAC name of N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine (CID 117037755) is N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine?
The canonical SMILES for N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine is CNCC(C(C)C)S(=O)(=O)c1cccs1.
What is the InChIKey of N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine?
The InChIKey is NEGVLPIKFCPUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S2/c1-8(2)9(7-11-3)15(12,13)10-5-4-6-14-10/h4-6,8-9,11H,7H2,1-3H3.
What are the key properties of N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine?
N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine is sourced from PubChem (CID 117037755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).