(2S)-2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide

C10H18N4OS — CID 61165360

IUPAC(2S)-2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C10H18N4OS/c1-7-8(6-13-14-7)5-12-10(15)9(11)3-4-16-2/h6,9H,3-5,11H2,1-2H3,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKeyVFLSMAPMXSGRNR-VIFPVBQESA-N
MW242.35 g/mol
LogP0.41
Rot. Bonds6

About (2S)-2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide

(2S)-2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide (PubChem CID 61165360) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide
PubChem CID61165360
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name(2S)-2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C10H18N4OS/c1-7-8(6-13-14-7)5-12-10(15)9(11)3-4-16-2/h6,9H,3-5,11H2,1-2H3,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKeyVFLSMAPMXSGRNR-VIFPVBQESA-N
XLogP0.41
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide (CID 61165360) is (2S)-2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NCc1cn[nH]c1C.
What is the InChIKey of (2S)-2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide?
The InChIKey is VFLSMAPMXSGRNR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7-8(6-13-14-7)5-12-10(15)9(11)3-4-16-2/h6,9H,3-5,11H2,1-2H3,(H,12,15)(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide?
(2S)-2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide has a molecular weight of 242.35 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 61165360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).