1-(tert-butylsulfonylmethyl)cyclopropan-1-amine

C8H17NO2S — CID 84772132

IUPAC1-(tert-butylsulfonylmethyl)cyclopropan-1-amine
SMILESCC(C)(C)S(=O)(=O)CC1(N)CC1
InChIInChI=1S/C8H17NO2S/c1-7(2,3)12(10,11)6-8(9)4-5-8/h4-6,9H2,1-3H3
InChIKeyIHCSDWDEXNHBPL-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.69
Rot. Bonds2

About 1-(tert-butylsulfonylmethyl)cyclopropan-1-amine

1-(tert-butylsulfonylmethyl)cyclopropan-1-amine (PubChem CID 84772132) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-(tert-butylsulfonylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(tert-butylsulfonylmethyl)cyclopropan-1-amine
PubChem CID84772132
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name1-(tert-butylsulfonylmethyl)cyclopropan-1-amine
SMILESCC(C)(C)S(=O)(=O)CC1(N)CC1
InChIInChI=1S/C8H17NO2S/c1-7(2,3)12(10,11)6-8(9)4-5-8/h4-6,9H2,1-3H3
InChIKeyIHCSDWDEXNHBPL-UHFFFAOYSA-N
XLogP0.69
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfonylmethyl)cyclopropan-1-amine?
The IUPAC name of 1-(tert-butylsulfonylmethyl)cyclopropan-1-amine (CID 84772132) is 1-(tert-butylsulfonylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(tert-butylsulfonylmethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(tert-butylsulfonylmethyl)cyclopropan-1-amine is CC(C)(C)S(=O)(=O)CC1(N)CC1.
What is the InChIKey of 1-(tert-butylsulfonylmethyl)cyclopropan-1-amine?
The InChIKey is IHCSDWDEXNHBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2,3)12(10,11)6-8(9)4-5-8/h4-6,9H2,1-3H3.
What are the key properties of 1-(tert-butylsulfonylmethyl)cyclopropan-1-amine?
1-(tert-butylsulfonylmethyl)cyclopropan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfonylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 84772132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).