N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide

C11H21ClN2O2S — CID 65031845

IUPACN-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCC(Cl)C1CC1)N1CCCCCC1
InChIInChI=1S/C11H21ClN2O2S/c12-11(10-5-6-10)9-13-17(15,16)14-7-3-1-2-4-8-14/h10-11,13H,1-9H2
InChIKeyBLSSPEFLVAXAOH-UHFFFAOYSA-N
MW280.82 g/mol
LogP1.71
Rot. Bonds5

About N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide

N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide (PubChem CID 65031845) has the molecular formula C11H21ClN2O2S and a molecular weight of 280.82 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide
PubChem CID65031845
Molecular FormulaC11H21ClN2O2S
Molecular Weight280.82 g/mol
Exact Mass280.10
IUPAC NameN-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCC(Cl)C1CC1)N1CCCCCC1
InChIInChI=1S/C11H21ClN2O2S/c12-11(10-5-6-10)9-13-17(15,16)14-7-3-1-2-4-8-14/h10-11,13H,1-9H2
InChIKeyBLSSPEFLVAXAOH-UHFFFAOYSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-cyclopropylethyl)pyrrolidine-1-sulfonamide
CID 63765844
N-(2-chloropropyl)pyrrolidine-1-sulfonamide
CID 65033458
N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide
CID 107158249
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide
CID 94061348
N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide
CID 102912990
N-(3,3-difluoro-2-hydroxypropyl)azepane-1-sulfonamide
CID 103836832
N-(2,3-dihydroxypropyl)pyrrolidine-1-sulfonamide
CID 66176482
N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66090656
N-ethylazepane-1-sulfonamide
CID 43213421
N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide
CID 66107139
N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide
CID 62667987
N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide
CID 115302890

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide (CID 65031845) is N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide is O=S(=O)(NCC(Cl)C1CC1)N1CCCCCC1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide?
The InChIKey is BLSSPEFLVAXAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O2S/c12-11(10-5-6-10)9-13-17(15,16)14-7-3-1-2-4-8-14/h10-11,13H,1-9H2.
What are the key properties of N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide?
N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide has a molecular weight of 280.82 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide is sourced from PubChem (CID 65031845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).