N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide

C13H22N2O3S — CID 30288270

IUPACN-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide
SMILESCc1ccc([C@H](C)NS(=O)(=O)N2CCCCCC2)o1
InChIInChI=1S/C13H22N2O3S/c1-11-7-8-13(18-11)12(2)14-19(16,17)15-9-5-3-4-6-10-15/h7-8,12,14H,3-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyIZKOWNYELJLAGS-LBPRGKRZSA-N
MW286.40 g/mol
LogP2.36
Rot. Bonds4

About N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide

N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide (PubChem CID 30288270) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide
PubChem CID30288270
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide
SMILESCc1ccc([C@H](C)NS(=O)(=O)N2CCCCCC2)o1
InChIInChI=1S/C13H22N2O3S/c1-11-7-8-13(18-11)12(2)14-19(16,17)15-9-5-3-4-6-10-15/h7-8,12,14H,3-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyIZKOWNYELJLAGS-LBPRGKRZSA-N
XLogP2.36
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6R)-2,6-dimethyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]morpholine-4-sulfonamide
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N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide
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N-[1-(3-aminophenyl)ethyl]piperidine-1-sulfonamide
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1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine
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2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
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N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
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N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-1-sulfonamide
CID 124748921
3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
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CID 117126220

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide?
The IUPAC name of N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide (CID 30288270) is N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide?
The canonical SMILES for N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide is Cc1ccc([C@H](C)NS(=O)(=O)N2CCCCCC2)o1.
What is the InChIKey of N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide?
The InChIKey is IZKOWNYELJLAGS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11-7-8-13(18-11)12(2)14-19(16,17)15-9-5-3-4-6-10-15/h7-8,12,14H,3-6,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide?
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide is sourced from PubChem (CID 30288270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).