3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine

C8H17NO2S — CID 81201292

IUPAC3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)CC1CC1
InChIInChI=1S/C8H17NO2S/c1-7(4-9)5-12(10,11)6-8-2-3-8/h7-8H,2-6,9H2,1H3
InChIKeyTVKGDLTUWRMZHU-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.41
Rot. Bonds5

About 3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine

3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine (PubChem CID 81201292) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine
PubChem CID81201292
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)CC1CC1
InChIInChI=1S/C8H17NO2S/c1-7(4-9)5-12(10,11)6-8-2-3-8/h7-8H,2-6,9H2,1H3
InChIKeyTVKGDLTUWRMZHU-UHFFFAOYSA-N
XLogP0.41
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine (CID 81201292) is 3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine is CC(CN)CS(=O)(=O)CC1CC1.
What is the InChIKey of 3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine?
The InChIKey is TVKGDLTUWRMZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(4-9)5-12(10,11)6-8-2-3-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine?
3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine is sourced from PubChem (CID 81201292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).