N-[1-(thiolan-3-yl)ethyl]propan-1-amine

C9H19NS — CID 105081992

IUPACN-[1-(thiolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C)C1CCSC1
InChIInChI=1S/C9H19NS/c1-3-5-10-8(2)9-4-6-11-7-9/h8-10H,3-7H2,1-2H3
InChIKeyAHLXISOBSUHRGN-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.13
Rot. Bonds4

About N-[1-(thiolan-3-yl)ethyl]propan-1-amine

N-[1-(thiolan-3-yl)ethyl]propan-1-amine (PubChem CID 105081992) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N-[1-(thiolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(thiolan-3-yl)ethyl]propan-1-amine
PubChem CID105081992
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN-[1-(thiolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C)C1CCSC1
InChIInChI=1S/C9H19NS/c1-3-5-10-8(2)9-4-6-11-7-9/h8-10H,3-7H2,1-2H3
InChIKeyAHLXISOBSUHRGN-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105165367
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine
CID 114193134
N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen
CID 177368161
N-(1-cyclopropylethyl)dodecan-1-amine
CID 55195999
3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine
CID 114192980
N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine
CID 105078063
N-[(2-methylphenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105094654
N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
CID 105153759
N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine
CID 63855012

Frequently Asked Questions

What is the IUPAC name of N-[1-(thiolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(thiolan-3-yl)ethyl]propan-1-amine (CID 105081992) is N-[1-(thiolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(thiolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(thiolan-3-yl)ethyl]propan-1-amine is CCCNC(C)C1CCSC1.
What is the InChIKey of N-[1-(thiolan-3-yl)ethyl]propan-1-amine?
The InChIKey is AHLXISOBSUHRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-5-10-8(2)9-4-6-11-7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-[1-(thiolan-3-yl)ethyl]propan-1-amine?
N-[1-(thiolan-3-yl)ethyl]propan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thiolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105081992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).