N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide

C12H26N2O3S — CID 55172496

IUPACN-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C12H26N2O3S/c1-17-9-6-10-18(15,16)14-11-12(13)7-4-2-3-5-8-12/h14H,2-11,13H2,1H3
InChIKeyQZCZBHCAYPTWBQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.99
Rot. Bonds7

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

N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide (PubChem CID 55172496) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
PubChem CID55172496
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C12H26N2O3S/c1-17-9-6-10-18(15,16)14-11-12(13)7-4-2-3-5-8-12/h14H,2-11,13H2,1H3
InChIKeyQZCZBHCAYPTWBQ-UHFFFAOYSA-N
XLogP0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594656
N-[1-(aminomethyl)cycloheptyl]methanesulfonamide
CID 28940684
N-[1-(aminomethyl)cycloheptyl]ethanesulfonamide
CID 28940676
N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide
CID 28940678
N-[1-(aminomethyl)cycloheptyl]propane-1-sulfonamide
CID 28940680
N-[(1-aminocycloheptyl)methyl]methanesulfonamide
CID 43598330
N-[(1-aminocycloheptyl)methyl]propane-1-sulfonamide
CID 43598334
N-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide
CID 43598336
N-[(1-aminocycloheptyl)methyl]ethanesulfonamide
CID 43598337
N-(2-amino-1-cyclohexylethyl)-2-methoxyethanesulfonamide
CID 55009587
N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide
CID 55009780
N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 55009781

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide (CID 55172496) is N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NCC1(N)CCCCCC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide?
The InChIKey is QZCZBHCAYPTWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-17-9-6-10-18(15,16)14-11-12(13)7-4-2-3-5-8-12/h14H,2-11,13H2,1H3.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide?
N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 55172496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).