N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine

C13H23NS2 — CID 106808177

IUPACN-propyl-6-thiophen-2-ylsulfanylhexan-3-amine
SMILESCCCNC(CC)CCCSc1cccs1
InChIInChI=1S/C13H23NS2/c1-3-9-14-12(4-2)7-5-10-15-13-8-6-11-16-13/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3
InChIKeyCZCKHMPWXAFFAR-UHFFFAOYSA-N
MW257.47 g/mol
LogP4.40
Rot. Bonds9

About N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine

N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine (PubChem CID 106808177) has the molecular formula C13H23NS2 and a molecular weight of 257.47 g/mol. Its IUPAC name is N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine.

Molecular Properties

Compound NameN-propyl-6-thiophen-2-ylsulfanylhexan-3-amine
PubChem CID106808177
Molecular FormulaC13H23NS2
Molecular Weight257.47 g/mol
Exact Mass257.13
IUPAC NameN-propyl-6-thiophen-2-ylsulfanylhexan-3-amine
SMILESCCCNC(CC)CCCSc1cccs1
InChIInChI=1S/C13H23NS2/c1-3-9-14-12(4-2)7-5-10-15-13-8-6-11-16-13/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3
InChIKeyCZCKHMPWXAFFAR-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 54.40
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-5-thiophen-2-ylsulfanylpentan-2-amine
CID 64612532
6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine
CID 106808222
methyl 2-(propylamino)-4-thiophen-2-ylsulfanylbutanoate
CID 63034472
ethyl 2-(propylamino)-4-thiophen-2-ylsulfanylbutanoate
CID 63034297
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylhexan-3-amine
CID 106808446
N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine
CID 62576495
2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
CID 62578159
N-(3-thiophen-2-ylsulfanylpropyl)acetamide
CID 58169495
N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 43286478
N-propyl-1-thiophen-2-yldecan-3-amine
CID 115860884
N,N-dimethyl-5-[4-(propylamino)hexylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 106808121
N-propyl-2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79573057

Frequently Asked Questions

What is the IUPAC name of N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine?
The IUPAC name of N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine (CID 106808177) is N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine.
What is the SMILES notation for N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine?
The canonical SMILES for N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine is CCCNC(CC)CCCSc1cccs1.
What is the InChIKey of N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine?
The InChIKey is CZCKHMPWXAFFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS2/c1-3-9-14-12(4-2)7-5-10-15-13-8-6-11-16-13/h6,8,11-12,14H,3-5,7,9-10H2,1-2H3.
What are the key properties of N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine?
N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine has a molecular weight of 257.47 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine is sourced from PubChem (CID 106808177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).