N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine

C12H21NS — CID 80627873

IUPACN-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine
SMILESC#CCCC(NCCC)C1CCCS1
InChIInChI=1S/C12H21NS/c1-3-5-7-11(13-9-4-2)12-8-6-10-14-12/h1,11-13H,4-10H2,2H3
InChIKeyQSDYPALTFXRXLV-UHFFFAOYSA-N
MW211.37 g/mol
LogP2.66
Rot. Bonds6

About N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine

N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine (PubChem CID 80627873) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine
PubChem CID80627873
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine
SMILESC#CCCC(NCCC)C1CCCS1
InChIInChI=1S/C12H21NS/c1-3-5-7-11(13-9-4-2)12-8-6-10-14-12/h1,11-13H,4-10H2,2H3
InChIKeyQSDYPALTFXRXLV-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-N-propyl-1-(thian-2-yl)butan-1-amine
CID 80626408
3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine
CID 80627756
5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine
CID 83161177
3-methylidene-N-propyl-1-(thiolan-2-yl)pentan-1-amine
CID 80626543
1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine
CID 65395607
N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627212
N-[2-(4-ethylphenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627216
1-(1,1-dioxothian-2-yl)-N-propylpent-4-yn-1-amine
CID 115859512
N-methyl-1-(thiolan-2-yl)butan-1-amine
CID 80621526
3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine
CID 80627297
N-[2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80626755
N-[2-(1-methylpyrazol-4-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627528

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine?
The IUPAC name of N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine (CID 80627873) is N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine.
What is the SMILES notation for N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine?
The canonical SMILES for N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine is C#CCCC(NCCC)C1CCCS1.
What is the InChIKey of N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine?
The InChIKey is QSDYPALTFXRXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-3-5-7-11(13-9-4-2)12-8-6-10-14-12/h1,11-13H,4-10H2,2H3.
What are the key properties of N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine?
N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine has a molecular weight of 211.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine is sourced from PubChem (CID 80627873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).