N-pent-1-yn-3-ylthiolan-3-amine

C9H15NS — CID 103062821

IUPACN-pent-1-yn-3-ylthiolan-3-amine
SMILESC#CC(CC)NC1CCSC1
InChIInChI=1S/C9H15NS/c1-3-8(4-2)10-9-5-6-11-7-9/h1,8-10H,4-7H2,2H3
InChIKeyUJFXQNLALKDIIA-UHFFFAOYSA-N
MW169.29 g/mol
LogP1.49
Rot. Bonds3

About N-pent-1-yn-3-ylthiolan-3-amine

N-pent-1-yn-3-ylthiolan-3-amine (PubChem CID 103062821) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N-pent-1-yn-3-ylthiolan-3-amine.

Molecular Properties

Compound NameN-pent-1-yn-3-ylthiolan-3-amine
PubChem CID103062821
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN-pent-1-yn-3-ylthiolan-3-amine
SMILESC#CC(CC)NC1CCSC1
InChIInChI=1S/C9H15NS/c1-3-8(4-2)10-9-5-6-11-7-9/h1,8-10H,4-7H2,2H3
InChIKeyUJFXQNLALKDIIA-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 51.49
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

Thiazolidine, 2-(3-pentynyl)-
CID 3058774
2-(But-3-yn-1-yl)-2-methyl-1,3-thiazolidine
CID 3058779
2-Methyl-2-(pent-4-yn-1-yl)-1,3-thiazolidine
CID 3058786
2-Methyl-2-(pent-3-yn-1-yl)-1,3-thiazolidine
CID 3058788
N-methylthiolan-3-amine
CID 16793953
N-butylthiolan-3-amine
CID 20436219
N-propylthiolan-3-amine
CID 21709926
N-ethylthiolan-3-amine
CID 24700762
(3R)-N-methylthiolan-3-amine
CID 28108892
(3S)-N-methylthiolan-3-amine
CID 28108894
N-Isopropyltetrahydrothiophen-3-amine
CID 43177202
N-butan-2-ylthiolan-3-amine
CID 43177308

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-ylthiolan-3-amine?
The IUPAC name of N-pent-1-yn-3-ylthiolan-3-amine (CID 103062821) is N-pent-1-yn-3-ylthiolan-3-amine.
What is the SMILES notation for N-pent-1-yn-3-ylthiolan-3-amine?
The canonical SMILES for N-pent-1-yn-3-ylthiolan-3-amine is C#CC(CC)NC1CCSC1.
What is the InChIKey of N-pent-1-yn-3-ylthiolan-3-amine?
The InChIKey is UJFXQNLALKDIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-8(4-2)10-9-5-6-11-7-9/h1,8-10H,4-7H2,2H3.
What are the key properties of N-pent-1-yn-3-ylthiolan-3-amine?
N-pent-1-yn-3-ylthiolan-3-amine has a molecular weight of 169.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-ylthiolan-3-amine is sourced from PubChem (CID 103062821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).