N-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide

C11H21N5O2S — CID 120875661

IUPACN-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide
SMILESCn1nncc1S(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C11H21N5O2S/c1-16-10(8-13-15-16)19(17,18)14-9-11(12)6-4-2-3-5-7-11/h8,14H,2-7,9,12H2,1H3
InChIKeyXLOCEOOLTQECGK-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.15
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide

N-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide (PubChem CID 120875661) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide
PubChem CID120875661
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide
SMILESCn1nncc1S(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C11H21N5O2S/c1-16-10(8-13-15-16)19(17,18)14-9-11(12)6-4-2-3-5-7-11/h8,14H,2-7,9,12H2,1H3
InChIKeyXLOCEOOLTQECGK-UHFFFAOYSA-N
XLogP0.15
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide
CID 120876258
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]triazole-4-sulfonamide;hydrochloride
CID 120876257
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 71894825
N-[(1-aminocycloheptyl)methyl]-5-bromo-3-methyltriazole-4-sulfonamide
CID 106466962
N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
CID 62062813
N-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine
CID 164657538
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride
CID 120876392
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
CID 119958900
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide (CID 120875661) is N-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide is Cn1nncc1S(=O)(=O)NCC1(N)CCCCCC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide?
The InChIKey is XLOCEOOLTQECGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-16-10(8-13-15-16)19(17,18)14-9-11(12)6-4-2-3-5-7-11/h8,14H,2-7,9,12H2,1H3.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide?
N-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 120875661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).