N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide

C13H26N2O3S — CID 55174512

IUPACN-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESNC1(CNS(=O)(=O)CC2CCCO2)CCCCCC1
InChIInChI=1S/C13H26N2O3S/c14-13(7-3-1-2-4-8-13)11-15-19(16,17)10-12-6-5-9-18-12/h12,15H,1-11,14H2
InChIKeyMFLQQXNQLWMUBZ-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.14
Rot. Bonds5

About N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide

N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 55174512) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID55174512
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESNC1(CNS(=O)(=O)CC2CCCO2)CCCCCC1
InChIInChI=1S/C13H26N2O3S/c14-13(7-3-1-2-4-8-13)11-15-19(16,17)10-12-6-5-9-18-12/h12,15H,1-11,14H2
InChIKeyMFLQQXNQLWMUBZ-UHFFFAOYSA-N
XLogP1.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 55009781
N-[(1-aminocycloheptyl)methyl]-2-methoxyethanesulfonamide
CID 55014025
N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide
CID 55031293
N-[1-(aminomethyl)cycloheptyl]-3-methoxypropane-1-sulfonamide
CID 55172490
N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
CID 55172496
N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55173729
N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55174883
N-[1-(aminomethyl)cycloheptyl]-2-ethoxyethanesulfonamide
CID 55175263
N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide
CID 62047541
N-[(1-aminocycloheptyl)methyl]-2-ethoxyethanesulfonamide
CID 63246302
N-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246375
N-[1-(aminomethyl)cyclopentyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246416

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide (CID 55174512) is N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide is NC1(CNS(=O)(=O)CC2CCCO2)CCCCCC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is MFLQQXNQLWMUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c14-13(7-3-1-2-4-8-13)11-15-19(16,17)10-12-6-5-9-18-12/h12,15H,1-11,14H2.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 55174512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).