2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide

C10H17N5O2S — CID 60975858

IUPAC2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide
SMILESCSCCC(NC(N)=O)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C10H17N5O2S/c1-18-5-3-8(14-10(11)17)9(16)12-6-7-2-4-13-15-7/h2,4,8H,3,5-6H2,1H3,(H,12,16)(H,13,15)(H3,11,14,17)
InChIKeyWTYAMPLLQOFSET-UHFFFAOYSA-N
MW271.35 g/mol
LogP-0.18
Rot. Bonds7

About 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide

2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide (PubChem CID 60975858) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide
PubChem CID60975858
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide
SMILESCSCCC(NC(N)=O)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C10H17N5O2S/c1-18-5-3-8(14-10(11)17)9(16)12-6-7-2-4-13-15-7/h2,4,8H,3,5-6H2,1H3,(H,12,16)(H,13,15)(H3,11,14,17)
InChIKeyWTYAMPLLQOFSET-UHFFFAOYSA-N
XLogP-0.18
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide?
The IUPAC name of 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide (CID 60975858) is 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide.
What is the SMILES notation for 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide?
The canonical SMILES for 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide is CSCCC(NC(N)=O)C(=O)NCc1ccn[nH]1.
What is the InChIKey of 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide?
The InChIKey is WTYAMPLLQOFSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-18-5-3-8(14-10(11)17)9(16)12-6-7-2-4-13-15-7/h2,4,8H,3,5-6H2,1H3,(H,12,16)(H,13,15)(H3,11,14,17).
What are the key properties of 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide?
2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide has a molecular weight of 271.35 g/mol, XLogP of -0.18, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-4-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)butanamide is sourced from PubChem (CID 60975858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).