N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine

C14H27NS — CID 115882230

IUPACN-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine
SMILESCC(C)CC1(CNC2CCCSC2)CCC1
InChIInChI=1S/C14H27NS/c1-12(2)9-14(6-4-7-14)11-15-13-5-3-8-16-10-13/h12-13,15H,3-11H2,1-2H3
InChIKeyUAWJJDSVKOQPMK-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.69
Rot. Bonds5

About N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine

N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine (PubChem CID 115882230) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine
PubChem CID115882230
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine
SMILESCC(C)CC1(CNC2CCCSC2)CCC1
InChIInChI=1S/C14H27NS/c1-12(2)9-14(6-4-7-14)11-15-13-5-3-8-16-10-13/h12-13,15H,3-11H2,1-2H3
InChIKeyUAWJJDSVKOQPMK-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]thian-3-amine
CID 115882236
[1-[(thian-3-ylamino)methyl]cyclohexyl]methanol
CID 103966001
(3S)-N-(3-methylbutyl)thian-3-amine
CID 94885631
N-(4-methylpentyl)thian-3-amine
CID 62871286
(3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine
CID 126454601
1-(thian-3-ylamino)propan-2-ol
CID 62873442
N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine
CID 115690960
4-ethyl-1-[(thian-3-ylamino)methyl]cyclohexan-1-ol
CID 65116047
3-methyl-1-[(thian-3-ylamino)methyl]cyclohexan-1-ol
CID 65116501
2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol
CID 115727241
N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine
CID 115690956
N-propan-2-yl-2-(thian-3-ylamino)acetamide
CID 62871240

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine?
The IUPAC name of N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine (CID 115882230) is N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine.
What is the SMILES notation for N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine?
The canonical SMILES for N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine is CC(C)CC1(CNC2CCCSC2)CCC1.
What is the InChIKey of N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine?
The InChIKey is UAWJJDSVKOQPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-12(2)9-14(6-4-7-14)11-15-13-5-3-8-16-10-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine?
N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine has a molecular weight of 241.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine is sourced from PubChem (CID 115882230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).