N-ethyl-1-(thian-4-yl)nonan-2-amine

C16H33NS — CID 105125122

IUPACN-ethyl-1-(thian-4-yl)nonan-2-amine
SMILESCCCCCCCC(CC1CCSCC1)NCC
InChIInChI=1S/C16H33NS/c1-3-5-6-7-8-9-16(17-4-2)14-15-10-12-18-13-11-15/h15-17H,3-14H2,1-2H3
InChIKeyJKNOCDGQVMJPKP-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.86
Rot. Bonds10

About N-ethyl-1-(thian-4-yl)nonan-2-amine

N-ethyl-1-(thian-4-yl)nonan-2-amine (PubChem CID 105125122) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is N-ethyl-1-(thian-4-yl)nonan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(thian-4-yl)nonan-2-amine
PubChem CID105125122
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC NameN-ethyl-1-(thian-4-yl)nonan-2-amine
SMILESCCCCCCCC(CC1CCSCC1)NCC
InChIInChI=1S/C16H33NS/c1-3-5-6-7-8-9-16(17-4-2)14-15-10-12-18-13-11-15/h15-17H,3-14H2,1-2H3
InChIKeyJKNOCDGQVMJPKP-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N,4-diethyl-1-(thian-4-yl)octan-2-amine
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N-ethyl-5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine
CID 105156512
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CID 105138170
N-ethyl-1-(oxolan-3-yl)decan-2-amine
CID 103987183
N-ethyl-1-(oxolan-3-yl)dodecan-2-amine
CID 103987333
1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine
CID 103168427
1-cyclopentyl-N-propyldodecan-2-amine
CID 115845917
N-ethylhexadecan-4-amine
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N-ethyltetradecan-7-amine
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(thian-4-yl)nonan-2-amine?
The IUPAC name of N-ethyl-1-(thian-4-yl)nonan-2-amine (CID 105125122) is N-ethyl-1-(thian-4-yl)nonan-2-amine.
What is the SMILES notation for N-ethyl-1-(thian-4-yl)nonan-2-amine?
The canonical SMILES for N-ethyl-1-(thian-4-yl)nonan-2-amine is CCCCCCCC(CC1CCSCC1)NCC.
What is the InChIKey of N-ethyl-1-(thian-4-yl)nonan-2-amine?
The InChIKey is JKNOCDGQVMJPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-3-5-6-7-8-9-16(17-4-2)14-15-10-12-18-13-11-15/h15-17H,3-14H2,1-2H3.
What are the key properties of N-ethyl-1-(thian-4-yl)nonan-2-amine?
N-ethyl-1-(thian-4-yl)nonan-2-amine has a molecular weight of 271.51 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(thian-4-yl)nonan-2-amine is sourced from PubChem (CID 105125122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).