5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine

C15H31NS — CID 83161177

IUPAC5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine
SMILESCCCNC(CCCC(C)C)C1CCCCS1
InChIInChI=1S/C15H31NS/c1-4-11-16-14(9-7-8-13(2)3)15-10-5-6-12-17-15/h13-16H,4-12H2,1-3H3
InChIKeyLODAXNXWOJAUQS-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.47
Rot. Bonds8

About 5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine

5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine (PubChem CID 83161177) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is 5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine
PubChem CID83161177
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Name5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine
SMILESCCCNC(CCCC(C)C)C1CCCCS1
InChIInChI=1S/C15H31NS/c1-4-11-16-14(9-7-8-13(2)3)15-10-5-6-12-17-15/h13-16H,4-12H2,1-3H3
InChIKeyLODAXNXWOJAUQS-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-N-propyl-1-(thian-2-yl)butan-1-amine
CID 80626408
N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine
CID 80627873
3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine
CID 80627756
N,3-dimethyl-1-(thian-2-yl)butan-1-amine
CID 80627563
1-(thian-2-yl)nonylhydrazine
CID 105255737
3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine
CID 80627297
N-methyl-1-(thiolan-2-yl)butan-1-amine
CID 80621526
N-ethyl-5,5,5-trifluoro-1-(thian-2-yl)pentan-1-amine
CID 115517503
N-[2-(3,5-dimethylphenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626607
3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine
CID 103011691
N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80626191
N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 80626828

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine?
The IUPAC name of 5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine (CID 83161177) is 5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine is CCCNC(CCCC(C)C)C1CCCCS1.
What is the InChIKey of 5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine?
The InChIKey is LODAXNXWOJAUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-4-11-16-14(9-7-8-13(2)3)15-10-5-6-12-17-15/h13-16H,4-12H2,1-3H3.
What are the key properties of 5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine?
5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine has a molecular weight of 257.49 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine is sourced from PubChem (CID 83161177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).