N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine

C12H21NS2 — CID 64612532

IUPACN-propyl-5-thiophen-2-ylsulfanylpentan-2-amine
SMILESCCCNC(C)CCCSc1cccs1
InChIInChI=1S/C12H21NS2/c1-3-8-13-11(2)6-4-9-14-12-7-5-10-15-12/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3
InChIKeyLQZRKZQACISSLQ-UHFFFAOYSA-N
MW243.44 g/mol
LogP4.01
Rot. Bonds8

About N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine

N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine (PubChem CID 64612532) has the molecular formula C12H21NS2 and a molecular weight of 243.44 g/mol. Its IUPAC name is N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine.

Molecular Properties

Compound NameN-propyl-5-thiophen-2-ylsulfanylpentan-2-amine
PubChem CID64612532
Molecular FormulaC12H21NS2
Molecular Weight243.44 g/mol
Exact Mass243.11
IUPAC NameN-propyl-5-thiophen-2-ylsulfanylpentan-2-amine
SMILESCCCNC(C)CCCSc1cccs1
InChIInChI=1S/C12H21NS2/c1-3-8-13-11(2)6-4-9-14-12-7-5-10-15-12/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3
InChIKeyLQZRKZQACISSLQ-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine
CID 106808177
methyl 2-(propylamino)-4-thiophen-2-ylsulfanylbutanoate
CID 63034472
ethyl 2-(propylamino)-4-thiophen-2-ylsulfanylbutanoate
CID 63034297
5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 64619560
N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine
CID 62576495
N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 43286478
N-(3-thiophen-2-ylpropyl)hexan-2-amine
CID 115897415
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine
CID 64649505
N-(thiophen-2-ylsulfanylmethyl)propan-2-amine
CID 117032909
N-(3-thiophen-2-ylsulfanylpropyl)acetamide
CID 58169495
5-(4-nitrophenyl)sulfanyl-N-propylpentan-2-amine
CID 64611747

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine?
The IUPAC name of N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine (CID 64612532) is N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine.
What is the SMILES notation for N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine?
The canonical SMILES for N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine is CCCNC(C)CCCSc1cccs1.
What is the InChIKey of N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine?
The InChIKey is LQZRKZQACISSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS2/c1-3-8-13-11(2)6-4-9-14-12-7-5-10-15-12/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine?
N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine has a molecular weight of 243.44 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine is sourced from PubChem (CID 64612532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).