2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine

C12H17N3S2 — CID 62582122

IUPAC2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)Sc1cnn(C)c1
InChIInChI=1S/C12H17N3S2/c1-10(17-12-8-14-15(2)9-12)6-13-7-11-4-3-5-16-11/h3-5,8-10,13H,6-7H2,1-2H3
InChIKeyBGAKVXGSRVUQEU-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.75
Rot. Bonds6

About 2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine

2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 62582122) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID62582122
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)Sc1cnn(C)c1
InChIInChI=1S/C12H17N3S2/c1-10(17-12-8-14-15(2)9-12)6-13-7-11-4-3-5-16-11/h3-5,8-10,13H,6-7H2,1-2H3
InChIKeyBGAKVXGSRVUQEU-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 116793711
N-[2-(1-methylpyrazol-4-yl)sulfanylpropyl]butan-1-amine
CID 62582315
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027
N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine
CID 55091951
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62578108
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55089239
2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 103503524
2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 79184426
1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075466
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075465
2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62558327

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine (CID 62582122) is 2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CNCc1cccs1)Sc1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is BGAKVXGSRVUQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-10(17-12-8-14-15(2)9-12)6-13-7-11-4-3-5-16-11/h3-5,8-10,13H,6-7H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62582122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).