(1S)-1-thiophen-2-ylpropane-1,3-diamine

C7H12N2S — CID 130817446

IUPAC(1S)-1-thiophen-2-ylpropane-1,3-diamine
SMILESNCC[C@H](N)c1cccs1
InChIInChI=1S/C7H12N2S/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6H,3-4,8-9H2/t6-/m0/s1
InChIKeyPFZOEBKMVVVCGO-LURJTMIESA-N
MW156.25 g/mol
LogP1.10
Rot. Bonds3

About (1S)-1-thiophen-2-ylpropane-1,3-diamine

(1S)-1-thiophen-2-ylpropane-1,3-diamine (PubChem CID 130817446) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is (1S)-1-thiophen-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name(1S)-1-thiophen-2-ylpropane-1,3-diamine
PubChem CID130817446
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name(1S)-1-thiophen-2-ylpropane-1,3-diamine
SMILESNCC[C@H](N)c1cccs1
InChIInChI=1S/C7H12N2S/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6H,3-4,8-9H2/t6-/m0/s1
InChIKeyPFZOEBKMVVVCGO-LURJTMIESA-N
XLogP1.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-thiophen-2-ylpropane-1-thiol
CID 116831185
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
4-amino-4-thiophen-2-ylbutanoic acid
CID 21318673
4-amino-4-thiophen-2-ylbutanamide
CID 60860619
(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265
1-thiophen-2-ylundecan-1-amine
CID 63414388
5-amino-5-thiophen-2-ylpentan-2-one
CID 116940647
1-thiophen-2-yloctan-1-amine
CID 22115201
3-methyl-4-thiophen-2-ylpentan-1-amine
CID 83934757
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine
CID 82021708
N'-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 115287726
2-methoxy-1-thiophen-2-ylethanamine
CID 58736274

Frequently Asked Questions

What is the IUPAC name of (1S)-1-thiophen-2-ylpropane-1,3-diamine?
The IUPAC name of (1S)-1-thiophen-2-ylpropane-1,3-diamine (CID 130817446) is (1S)-1-thiophen-2-ylpropane-1,3-diamine.
What is the SMILES notation for (1S)-1-thiophen-2-ylpropane-1,3-diamine?
The canonical SMILES for (1S)-1-thiophen-2-ylpropane-1,3-diamine is NCC[C@H](N)c1cccs1.
What is the InChIKey of (1S)-1-thiophen-2-ylpropane-1,3-diamine?
The InChIKey is PFZOEBKMVVVCGO-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N2S/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6H,3-4,8-9H2/t6-/m0/s1.
What are the key properties of (1S)-1-thiophen-2-ylpropane-1,3-diamine?
(1S)-1-thiophen-2-ylpropane-1,3-diamine has a molecular weight of 156.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-thiophen-2-ylpropane-1,3-diamine is sourced from PubChem (CID 130817446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).