N-hex-1-yn-3-yl-5-methylthiolan-3-amine

C11H19NS — CID 106225796

IUPACN-hex-1-yn-3-yl-5-methylthiolan-3-amine
SMILESC#CC(CCC)NC1CSC(C)C1
InChIInChI=1S/C11H19NS/c1-4-6-10(5-2)12-11-7-9(3)13-8-11/h2,9-12H,4,6-8H2,1,3H3
InChIKeyWOQXTXROHGTFQQ-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.27
Rot. Bonds4

About N-hex-1-yn-3-yl-5-methylthiolan-3-amine

N-hex-1-yn-3-yl-5-methylthiolan-3-amine (PubChem CID 106225796) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-5-methylthiolan-3-amine
PubChem CID106225796
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-hex-1-yn-3-yl-5-methylthiolan-3-amine
SMILESC#CC(CCC)NC1CSC(C)C1
InChIInChI=1S/C11H19NS/c1-4-6-10(5-2)12-11-7-9(3)13-8-11/h2,9-12H,4,6-8H2,1,3H3
InChIKeyWOQXTXROHGTFQQ-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.27
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

N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine
CID 106227218
5-methyl-N-(3-methylpentan-2-yl)thiolan-3-amine
CID 79950674
N-hex-1-yn-3-yl-1,2,5-trimethylpiperidin-4-amine
CID 106226288
N-(1-methoxybutan-2-yl)-5-methylthiolan-3-amine
CID 79949853
N-hex-1-yn-3-yl-1-methylpyrrolidin-3-amine
CID 106225749
N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine
CID 106227277
tert-butyl N-[3-(hex-1-yn-3-ylamino)cyclobutyl]carbamate
CID 106226389
N-hex-1-yn-3-yl-1-methylsulfonylpiperidin-4-amine
CID 114239294
5-methyl-N-(2-methylpropyl)thiolan-3-amine
CID 57201026
tert-butyl 3-(hex-1-yn-3-ylamino)azetidine-1-carboxylate
CID 106226951
3-(3-chlorophenyl)-N-hex-1-yn-3-ylcyclobutan-1-amine
CID 106226917
N-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine
CID 81384917

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-5-methylthiolan-3-amine?
The IUPAC name of N-hex-1-yn-3-yl-5-methylthiolan-3-amine (CID 106225796) is N-hex-1-yn-3-yl-5-methylthiolan-3-amine.
What is the SMILES notation for N-hex-1-yn-3-yl-5-methylthiolan-3-amine?
The canonical SMILES for N-hex-1-yn-3-yl-5-methylthiolan-3-amine is C#CC(CCC)NC1CSC(C)C1.
What is the InChIKey of N-hex-1-yn-3-yl-5-methylthiolan-3-amine?
The InChIKey is WOQXTXROHGTFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-4-6-10(5-2)12-11-7-9(3)13-8-11/h2,9-12H,4,6-8H2,1,3H3.
What are the key properties of N-hex-1-yn-3-yl-5-methylthiolan-3-amine?
N-hex-1-yn-3-yl-5-methylthiolan-3-amine has a molecular weight of 197.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-5-methylthiolan-3-amine is sourced from PubChem (CID 106225796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).