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

C12H25NO4S — CID 65122529

IUPACN-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C12H25NO4S/c1-17-9-6-10-18(15,16)13-11-12(14)7-4-2-3-5-8-12/h13-14H,2-11H2,1H3
InChIKeyBXEIDJZPSWTGIR-UHFFFAOYSA-N
MW279.40 g/mol
LogP1.03
Rot. Bonds7

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

N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide (PubChem CID 65122529) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
PubChem CID65122529
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C12H25NO4S/c1-17-9-6-10-18(15,16)13-11-12(14)7-4-2-3-5-8-12/h13-14H,2-11H2,1H3
InChIKeyBXEIDJZPSWTGIR-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(1-hydroxycyclohexyl)methylsulfamoyl]butanoate
CID 65105198
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide
CID 115456941
N-[1-(aminomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290111
N-(cyanomethyl)-3-methoxypropane-1-sulfonamide
CID 63290412
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]butanoate
CID 61457714
N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110626462
1-[(2-methoxyethylamino)methyl]cyclopentan-1-ol
CID 62773566
1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
CID 65113106
N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide
CID 115642581
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethoxyethanesulfonamide
CID 103970051
N-(3-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290049

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide (CID 65122529) is N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NCC1(O)CCCCCC1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide?
The InChIKey is BXEIDJZPSWTGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-17-9-6-10-18(15,16)13-11-12(14)7-4-2-3-5-8-12/h13-14H,2-11H2,1H3.
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide?
N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide has a molecular weight of 279.40 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 65122529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).