(1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine

C10H18N2S — CID 171222710

IUPAC(1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine
SMILESCc1ccsc1[C@@H](N)CCCCN
InChIInChI=1S/C10H18N2S/c1-8-5-7-13-10(8)9(12)4-2-3-6-11/h5,7,9H,2-4,6,11-12H2,1H3/t9-/m0/s1
InChIKeyBJAYXHGQSRABJF-VIFPVBQESA-N
MW198.33 g/mol
LogP2.19
Rot. Bonds5

About (1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine

(1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine (PubChem CID 171222710) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is (1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound Name(1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine
PubChem CID171222710
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name(1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine
SMILESCc1ccsc1[C@@H](N)CCCCN
InChIInChI=1S/C10H18N2S/c1-8-5-7-13-10(8)9(12)4-2-3-6-11/h5,7,9H,2-4,6,11-12H2,1H3/t9-/m0/s1
InChIKeyBJAYXHGQSRABJF-VIFPVBQESA-N
XLogP2.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylthiophen-2-yl)hexan-1-amine;hydrochloride
CID 86262849
(1R)-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 55276293
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222723
(3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride
CID 171259927
(1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171203150
1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine
CID 116942064
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 171313604
N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 116932549
(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 103693064
(1R)-1-(3,4-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171200476
2,4-diamino-4-(3-methylthiophen-2-yl)butanoic acid
CID 116942752

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine?
The IUPAC name of (1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine (CID 171222710) is (1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine.
What is the SMILES notation for (1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine?
The canonical SMILES for (1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine is Cc1ccsc1[C@@H](N)CCCCN.
What is the InChIKey of (1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine?
The InChIKey is BJAYXHGQSRABJF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2S/c1-8-5-7-13-10(8)9(12)4-2-3-6-11/h5,7,9H,2-4,6,11-12H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine?
(1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine has a molecular weight of 198.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 171222710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).