N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide

C13H26N2O3S — CID 62047541

IUPACN-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide
SMILESNC1(CNS(=O)(=O)C2CCOCC2)CCCCCC1
InChIInChI=1S/C13H26N2O3S/c14-13(7-3-1-2-4-8-13)11-15-19(16,17)12-5-9-18-10-6-12/h12,15H,1-11,14H2
InChIKeyPQEQAFPCIVIZNQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.14
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide

N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide (PubChem CID 62047541) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide
PubChem CID62047541
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide
SMILESNC1(CNS(=O)(=O)C2CCOCC2)CCCCCC1
InChIInChI=1S/C13H26N2O3S/c14-13(7-3-1-2-4-8-13)11-15-19(16,17)12-5-9-18-10-6-12/h12,15H,1-11,14H2
InChIKeyPQEQAFPCIVIZNQ-UHFFFAOYSA-N
XLogP1.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocycloheptyl)methyl]oxane-3-sulfonamide
CID 120875677
N-[(1-aminocyclopropyl)methyl]cyclopropanesulfonamide
CID 165466108
N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride
CID 120874307
N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide
CID 103970367
N-[(1-aminocyclohexyl)methyl]morpholine-4-sulfonamide;hydrochloride
CID 119958830
N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide
CID 114758693
N-[(3-hydroxyoxolan-3-yl)methyl]oxane-4-sulfonamide
CID 103848200
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide
CID 103970028
N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247002
N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119998562
N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
CID 119958900
N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride
CID 119958818

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide (CID 62047541) is N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide is NC1(CNS(=O)(=O)C2CCOCC2)CCCCCC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide?
The InChIKey is PQEQAFPCIVIZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c14-13(7-3-1-2-4-8-13)11-15-19(16,17)12-5-9-18-10-6-12/h12,15H,1-11,14H2.
What are the key properties of N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide?
N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide is sourced from PubChem (CID 62047541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).