N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide

C10H22N2O2S — CID 115267418

IUPACN-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(CNC)CC1
InChIInChI=1S/C10H22N2O2S/c1-3-4-7-15(13,14)12-9-10(5-6-10)8-11-2/h11-12H,3-9H2,1-2H3
InChIKeyKVDSNNCFUUVIKY-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.71
Rot. Bonds8

About N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide

N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide (PubChem CID 115267418) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide
PubChem CID115267418
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(CNC)CC1
InChIInChI=1S/C10H22N2O2S/c1-3-4-7-15(13,14)12-9-10(5-6-10)8-11-2/h11-12H,3-9H2,1-2H3
InChIKeyKVDSNNCFUUVIKY-UHFFFAOYSA-N
XLogP0.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide
CID 105055894
2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164526
N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide
CID 115456556
N-[[1-(dimethylamino)cyclopentyl]methyl]butane-1-sulfonamide
CID 131900223
N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide
CID 131944790
1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433192
N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide
CID 65121537
N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 114096531
4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide
CID 114124982
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide
CID 115456941
4-[(butylsulfonylamino)methyl]oxane-4-carboxamide
CID 47372219
1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine
CID 65194813

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide?
The IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide (CID 115267418) is N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC1(CNC)CC1.
What is the InChIKey of N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide?
The InChIKey is KVDSNNCFUUVIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-3-4-7-15(13,14)12-9-10(5-6-10)8-11-2/h11-12H,3-9H2,1-2H3.
What are the key properties of N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide?
N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 115267418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).