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

C14H19ClN2OS2 — CID 119271767

IUPAC(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)N(Cc1cccs1)Cc1cccs1.Cl
InChIInChI=1S/C14H18N2OS2.ClH/c1-2-13(15)14(17)16(9-11-5-3-7-18-11)10-12-6-4-8-19-12;/h3-8,13H,2,9-10,15H2,1H3;1H/t13-;/m0./s1
InChIKeyZZZYOCKJQVUMAF-ZOWNYOTGSA-N
MW330.91 g/mol
LogP3.50
Rot. Bonds6

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

(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride (PubChem CID 119271767) has the molecular formula C14H19ClN2OS2 and a molecular weight of 330.91 g/mol. Its IUPAC name is (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride
PubChem CID119271767
Molecular FormulaC14H19ClN2OS2
Molecular Weight330.91 g/mol
Exact Mass330.06
IUPAC Name(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)N(Cc1cccs1)Cc1cccs1.Cl
InChIInChI=1S/C14H18N2OS2.ClH/c1-2-13(15)14(17)16(9-11-5-3-7-18-11)10-12-6-4-8-19-12;/h3-8,13H,2,9-10,15H2,1H3;1H/t13-;/m0./s1
InChIKeyZZZYOCKJQVUMAF-ZOWNYOTGSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.91
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869064
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759
(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
(2R)-2-amino-N-(furan-2-ylmethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 104903002
2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide
CID 60953324
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 75429808
2-(aminomethyl)-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 65230128
2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 81081754
2-amino-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 54869709
3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 75468778

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride (CID 119271767) is (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride is CC[C@H](N)C(=O)N(Cc1cccs1)Cc1cccs1.Cl.
What is the InChIKey of (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride?
The InChIKey is ZZZYOCKJQVUMAF-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H18N2OS2.ClH/c1-2-13(15)14(17)16(9-11-5-3-7-18-11)10-12-6-4-8-19-12;/h3-8,13H,2,9-10,15H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride?
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride has a molecular weight of 330.91 g/mol, XLogP of 3.50, 6 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)butanamide;hydrochloride is sourced from PubChem (CID 119271767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).