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

2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62578597
(3S4R)-3-(Butylamino)-4-(thiophene-2-sulfonyl)-1lambda6-thiolane-11-dione
CID 20897659
[(3S,4R)-1,1-dioxido-4-(2-thienylsulfonyl)tetrahydro-3-thienyl]pentylamine
CID 20897720
1-Thiophen-2-ylsulfanylpropan-2-amine
CID 12097401
4-Thiophen-2-ylsulfanylpiperidine
CID 13825056
4-Thiophen-2-ylsulfanylpiperidine;hydrochloride
CID 13825057
(2S)-N-(thiophen-3-ylmethyl)pentan-2-amine
CID 28439300
N-methylethanamine;propane;thiophene
CID 53791217
N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
CID 61385802
N-(2-thiophen-2-ylsulfanylethyl)cyclohexanamine
CID 62576914
2-Thiophen-2-ylsulfanylcyclohexan-1-amine
CID 64613999
N-(thiophen-2-ylsulfanylmethyl)propan-1-amine
CID 66909473

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).