N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine

C10H17NOS2 — CID 64654040

IUPACN-propyl-3-thiophen-2-ylsulfinylpropan-1-amine
SMILESCCCNCCCS(=O)c1cccs1
InChIInChI=1S/C10H17NOS2/c1-2-6-11-7-4-9-14(12)10-5-3-8-13-10/h3,5,8,11H,2,4,6-7,9H2,1H3
InChIKeyKTPWMJUPIMVCKB-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.25
Rot. Bonds7

About N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine

N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine (PubChem CID 64654040) has the molecular formula C10H17NOS2 and a molecular weight of 231.39 g/mol. Its IUPAC name is N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-propyl-3-thiophen-2-ylsulfinylpropan-1-amine
PubChem CID64654040
Molecular FormulaC10H17NOS2
Molecular Weight231.39 g/mol
Exact Mass231.08
IUPAC NameN-propyl-3-thiophen-2-ylsulfinylpropan-1-amine
SMILESCCCNCCCS(=O)c1cccs1
InChIInChI=1S/C10H17NOS2/c1-2-6-11-7-4-9-14(12)10-5-3-8-13-10/h3,5,8,11H,2,4,6-7,9H2,1H3
InChIKeyKTPWMJUPIMVCKB-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.25
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-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine
CID 64652385
2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile
CID 65262840
N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine
CID 64653423
N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine
CID 64650951
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79486499
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one
CID 64638878
1-thiophen-2-ylsulfinylpentan-2-amine
CID 64652798
N-butyl-5-thiophen-2-ylpentan-1-amine
CID 83980454
4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine
CID 62462942
2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine
CID 81328342
N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560031

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine?
The IUPAC name of N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine (CID 64654040) is N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine.
What is the SMILES notation for N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine?
The canonical SMILES for N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine is CCCNCCCS(=O)c1cccs1.
What is the InChIKey of N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine?
The InChIKey is KTPWMJUPIMVCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS2/c1-2-6-11-7-4-9-14(12)10-5-3-8-13-10/h3,5,8,11H,2,4,6-7,9H2,1H3.
What are the key properties of N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine?
N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine has a molecular weight of 231.39 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine is sourced from PubChem (CID 64654040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).