N-(1-methylsulfinylpropan-2-yl)cyclobutanamine

C8H17NOS — CID 104530811

IUPACN-(1-methylsulfinylpropan-2-yl)cyclobutanamine
SMILESCC(CS(C)=O)NC1CCC1
InChIInChI=1S/C8H17NOS/c1-7(6-11(2)10)9-8-4-3-5-8/h7-9H,3-6H2,1-2H3
InChIKeyNTAIBHLJLIPYMM-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.90
Rot. Bonds4

About N-(1-methylsulfinylpropan-2-yl)cyclobutanamine

N-(1-methylsulfinylpropan-2-yl)cyclobutanamine (PubChem CID 104530811) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-(1-methylsulfinylpropan-2-yl)cyclobutanamine.

Molecular Properties

Compound NameN-(1-methylsulfinylpropan-2-yl)cyclobutanamine
PubChem CID104530811
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-(1-methylsulfinylpropan-2-yl)cyclobutanamine
SMILESCC(CS(C)=O)NC1CCC1
InChIInChI=1S/C8H17NOS/c1-7(6-11(2)10)9-8-4-3-5-8/h7-9H,3-6H2,1-2H3
InChIKeyNTAIBHLJLIPYMM-UHFFFAOYSA-N
XLogP0.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methylsulfinylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 113460023
N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 104814286
4-tert-butyl-N-(4-methylsulfinylbutan-2-yl)cycloheptan-1-amine
CID 115750469
1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea
CID 116510187
1-methylsulfinyl-N-propan-2-ylpropan-2-amine
CID 104537797
2-(cyclododecylamino)propan-1-ol
CID 43499740
cis-(1S,3S)-3-benzyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]cyclopentan-1-amine
CID 129429773
N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide
CID 97351327
2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine
CID 106662802
3-(cyclohexylamino)butanal
CID 163514987
N-(4-methylpentan-2-yl)cyclohexanamine
CID 21355503
N-(1-methylsulfanylpropan-2-yl)cyclopentanamine
CID 115721778

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfinylpropan-2-yl)cyclobutanamine?
The IUPAC name of N-(1-methylsulfinylpropan-2-yl)cyclobutanamine (CID 104530811) is N-(1-methylsulfinylpropan-2-yl)cyclobutanamine.
What is the SMILES notation for N-(1-methylsulfinylpropan-2-yl)cyclobutanamine?
The canonical SMILES for N-(1-methylsulfinylpropan-2-yl)cyclobutanamine is CC(CS(C)=O)NC1CCC1.
What is the InChIKey of N-(1-methylsulfinylpropan-2-yl)cyclobutanamine?
The InChIKey is NTAIBHLJLIPYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(6-11(2)10)9-8-4-3-5-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(1-methylsulfinylpropan-2-yl)cyclobutanamine?
N-(1-methylsulfinylpropan-2-yl)cyclobutanamine has a molecular weight of 175.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfinylpropan-2-yl)cyclobutanamine is sourced from PubChem (CID 104530811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).