(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride

C13H17ClN2OS2 — CID 119271759

IUPAC(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)N(Cc1cccs1)Cc1cccs1.Cl
InChIInChI=1S/C13H16N2OS2.ClH/c1-10(14)13(16)15(8-11-4-2-6-17-11)9-12-5-3-7-18-12;/h2-7,10H,8-9,14H2,1H3;1H/t10-;/m0./s1
InChIKeyYKMWCSOCZPNZLW-PPHPATTJSA-N
MW316.88 g/mol
LogP3.11
Rot. Bonds5

About (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride

(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119271759) has the molecular formula C13H17ClN2OS2 and a molecular weight of 316.88 g/mol. Its IUPAC name is (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
PubChem CID119271759
Molecular FormulaC13H17ClN2OS2
Molecular Weight316.88 g/mol
Exact Mass316.05
IUPAC Name(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)N(Cc1cccs1)Cc1cccs1.Cl
InChIInChI=1S/C13H16N2OS2.ClH/c1-10(14)13(16)15(8-11-4-2-6-17-11)9-12-5-3-7-18-12;/h2-7,10H,8-9,14H2,1H3;1H/t10-;/m0./s1
InChIKeyYKMWCSOCZPNZLW-PPHPATTJSA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.88
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride 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

(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271767
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
(2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide
CID 104903015
2-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271522
2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide
CID 60953324
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
2-(aminomethyl)-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 65230128
3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 75468778
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
(2R)-2-amino-N-(furan-2-ylmethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 104903002
2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869064

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride (CID 119271759) is (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride is C[C@H](N)C(=O)N(Cc1cccs1)Cc1cccs1.Cl.
What is the InChIKey of (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is YKMWCSOCZPNZLW-PPHPATTJSA-N. The full InChI is InChI=1S/C13H16N2OS2.ClH/c1-10(14)13(16)15(8-11-4-2-6-17-11)9-12-5-3-7-18-12;/h2-7,10H,8-9,14H2,1H3;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride?
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 316.88 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119271759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).