N-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide

C14H29N3O2S — CID 43598293

IUPACN-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide
SMILESNC1(CNS(=O)(=O)N2CCCCCC2)CCCCCC1
InChIInChI=1S/C14H29N3O2S/c15-14(9-5-1-2-6-10-14)13-16-20(18,19)17-11-7-3-4-8-12-17/h16H,1-13,15H2
InChIKeyPPAFZHVCSZPMCB-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.75
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide

N-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide (PubChem CID 43598293) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide
PubChem CID43598293
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide
SMILESNC1(CNS(=O)(=O)N2CCCCCC2)CCCCCC1
InChIInChI=1S/C14H29N3O2S/c15-14(9-5-1-2-6-10-14)13-16-20(18,19)17-11-7-3-4-8-12-17/h16H,1-13,15H2
InChIKeyPPAFZHVCSZPMCB-UHFFFAOYSA-N
XLogP1.75
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide
CID 86814102
N-[[1-(dimethylamino)cycloheptyl]methyl]azepane-1-sulfonamide
CID 34249441
N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide
CID 28940482
N-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide
CID 28940520
N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide
CID 28940614
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane
CID 28940646
N-[1-(aminomethyl)cycloheptyl]pyrrolidine-1-sulfonamide
CID 28940656
N-[1-(aminomethyl)cycloheptyl]-4-methylpiperidine-1-sulfonamide
CID 28940660
N-[1-(aminomethyl)cycloheptyl]piperidine-1-sulfonamide
CID 28940662
N-[1-(aminomethyl)cycloheptyl]azepane-1-sulfonamide
CID 28940664
1-(Aminomethyl)-1-(diethylsulfamoylamino)cycloheptane
CID 28940666
1-(Aminomethyl)-1-(sulfamoylamino)cycloheptane
CID 28940674

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide (CID 43598293) is N-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide is NC1(CNS(=O)(=O)N2CCCCCC2)CCCCCC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide?
The InChIKey is PPAFZHVCSZPMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c15-14(9-5-1-2-6-10-14)13-16-20(18,19)17-11-7-3-4-8-12-17/h16H,1-13,15H2.
What are the key properties of N-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide?
N-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide is sourced from PubChem (CID 43598293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).