1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine

C8H17NO2S — CID 84772133

IUPAC1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine
SMILESCC(C)CS(=O)(=O)CC1(N)CC1
InChIInChI=1S/C8H17NO2S/c1-7(2)5-12(10,11)6-8(9)3-4-8/h7H,3-6,9H2,1-2H3
InChIKeyDUQZBGGWRXQBMN-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.55
Rot. Bonds4

About 1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine

1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine (PubChem CID 84772133) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine
PubChem CID84772133
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine
SMILESCC(C)CS(=O)(=O)CC1(N)CC1
InChIInChI=1S/C8H17NO2S/c1-7(2)5-12(10,11)6-8(9)3-4-8/h7H,3-6,9H2,1-2H3
InChIKeyDUQZBGGWRXQBMN-UHFFFAOYSA-N
XLogP0.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylsulfonylmethyl)cyclopropan-1-amine
CID 84772132
2-methylpropane-1-sulfonamide
CID 10197726
3-(2-methylpropylsulfonyl)propan-1-amine
CID 43444510
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-methylpropylsulfonyl)ethanone
CID 120810105
1-(3-ethylsulfonylpropyl)cyclopropan-1-amine
CID 66024875
1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane
CID 160829804
2-methylpropylsulfonylcyclopropane
CID 58333627
2-(2-methylpropylsulfonyl)ethanol
CID 22979545
1-[2-(fluoromethyl)-4-methylpentyl]cyclopropan-1-amine
CID 105435639
1-(1-aminocyclopropyl)-4-methylpentan-2-one
CID 131228317
1-(2,2-dimethoxyethylsulfonyl)-2-methylpropane
CID 66221977
1-(2,4-dimethylpentyl)cyclopropan-1-amine
CID 83682066

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine?
The IUPAC name of 1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine (CID 84772133) is 1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine is CC(C)CS(=O)(=O)CC1(N)CC1.
What is the InChIKey of 1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine?
The InChIKey is DUQZBGGWRXQBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)5-12(10,11)6-8(9)3-4-8/h7H,3-6,9H2,1-2H3.
What are the key properties of 1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine?
1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 84772133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).