N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine

C9H19NO2S — CID 63190759

IUPACN-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCCNCC1CCC1
InChIInChI=1S/C9H19NO2S/c1-13(11,12)7-3-6-10-8-9-4-2-5-9/h9-10H,2-8H2,1H3
InChIKeyDRKAWYGRJOZMOZ-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.81
Rot. Bonds6

About N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine

N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine (PubChem CID 63190759) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine
PubChem CID63190759
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCCNCC1CCC1
InChIInChI=1S/C9H19NO2S/c1-13(11,12)7-3-6-10-8-9-4-2-5-9/h9-10H,2-8H2,1H3
InChIKeyDRKAWYGRJOZMOZ-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-3-methylsulfonylpropan-1-amine
CID 61342623
N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62656970
3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106638054
N-(cyclohexylmethyl)-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79858955
1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine
CID 115716722
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
2-(3-methylsulfonylpropylamino)cyclopentan-1-ol
CID 61036604
trans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol
CID 93451298
1-(cyclopropylmethoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol
CID 54905370
N-(cyclopropylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine
CID 91246743
1-cyclobutyl-3-(3-methylsulfonylpropyl)urea
CID 115617843
2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103710561

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine (CID 63190759) is N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine is CS(=O)(=O)CCCNCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine?
The InChIKey is DRKAWYGRJOZMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-13(11,12)7-3-6-10-8-9-4-2-5-9/h9-10H,2-8H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine?
N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 63190759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).