(2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide

C13H21N3OS — CID 8834711

IUPAC(2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
SMILESCNC(=O)[C@H](C)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C13H21N3OS/c1-11(13(17)14-2)16-7-5-15(6-8-16)10-12-4-3-9-18-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,14,17)/t11-/m0/s1
InChIKeyPBBCWDJVQNPFMH-NSHDSACASA-N
MW267.40 g/mol
LogP1.00
Rot. Bonds4

About (2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide

(2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 8834711) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is (2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
PubChem CID8834711
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name(2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
SMILESCNC(=O)[C@H](C)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C13H21N3OS/c1-11(13(17)14-2)16-7-5-15(6-8-16)10-12-4-3-9-18-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,14,17)/t11-/m0/s1
InChIKeyPBBCWDJVQNPFMH-NSHDSACASA-N
XLogP1.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720809
(2R)-N-cyclopropyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720757
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78808512
(2R)-N-(4-cyanophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720773
(2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720791
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84822086
(2R)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8720823
(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 30956228
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638
2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858737
N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185587
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 78808507

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide (CID 8834711) is (2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide is CNC(=O)[C@H](C)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of (2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is PBBCWDJVQNPFMH-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3OS/c1-11(13(17)14-2)16-7-5-15(6-8-16)10-12-4-3-9-18-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,14,17)/t11-/m0/s1.
What are the key properties of (2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
(2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 267.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 8834711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).