(4-propylthiolan-3-yl)methanamine

C8H17NS — CID 84764177

IUPAC(4-propylthiolan-3-yl)methanamine
SMILESCCCC1CSCC1CN
InChIInChI=1S/C8H17NS/c1-2-3-7-5-10-6-8(7)4-9/h7-8H,2-6,9H2,1H3
InChIKeyXLQSSLCXOMGJPL-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.72
Rot. Bonds3

About (4-propylthiolan-3-yl)methanamine

(4-propylthiolan-3-yl)methanamine (PubChem CID 84764177) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (4-propylthiolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-propylthiolan-3-yl)methanamine
PubChem CID84764177
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(4-propylthiolan-3-yl)methanamine
SMILESCCCC1CSCC1CN
InChIInChI=1S/C8H17NS/c1-2-3-7-5-10-6-8(7)4-9/h7-8H,2-6,9H2,1H3
InChIKeyXLQSSLCXOMGJPL-UHFFFAOYSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S)-2-propylcyclopentyl]methanamine
CID 124512847
(4-methyl-2-propylcyclohexyl)methanamine
CID 81009866
(1-methyl-5-propylazepan-4-yl)methanamine
CID 84769502
4-nonylthiolan-3-amine
CID 83196598
(3S,4S)-3-propylthian-4-ol
CID 101042409
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
(1-methyl-3-propylpiperidin-4-yl)methanamine
CID 84765836
4-butylthiolan-3-ol
CID 83190040
(2-butylcyclopropyl)methanamine
CID 90757424
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
(2-propyloxolan-3-yl)methanamine
CID 79368036
4-butyl-N-methylthiolan-3-amine
CID 83195974

Frequently Asked Questions

What is the IUPAC name of (4-propylthiolan-3-yl)methanamine?
The IUPAC name of (4-propylthiolan-3-yl)methanamine (CID 84764177) is (4-propylthiolan-3-yl)methanamine.
What is the SMILES notation for (4-propylthiolan-3-yl)methanamine?
The canonical SMILES for (4-propylthiolan-3-yl)methanamine is CCCC1CSCC1CN.
What is the InChIKey of (4-propylthiolan-3-yl)methanamine?
The InChIKey is XLQSSLCXOMGJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-2-3-7-5-10-6-8(7)4-9/h7-8H,2-6,9H2,1H3.
What are the key properties of (4-propylthiolan-3-yl)methanamine?
(4-propylthiolan-3-yl)methanamine has a molecular weight of 159.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylthiolan-3-yl)methanamine is sourced from PubChem (CID 84764177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).