N-cyclopentyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H26N4OS — CID 855224

IUPACN-cyclopentyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)NC2CCCC2)nnc1C(C)C
InChIInChI=1S/C15H26N4OS/c1-4-9-19-14(11(2)3)17-18-15(19)21-10-13(20)16-12-7-5-6-8-12/h11-12H,4-10H2,1-3H3,(H,16,20)
InChIKeySMYBEDBLELCCPK-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.96
Rot. Bonds7

About N-cyclopentyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-cyclopentyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 855224) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-cyclopentyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID855224
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-cyclopentyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)NC2CCCC2)nnc1C(C)C
InChIInChI=1S/C15H26N4OS/c1-4-9-19-14(11(2)3)17-18-15(19)21-10-13(20)16-12-7-5-6-8-12/h11-12H,4-10H2,1-3H3,(H,16,20)
InChIKeySMYBEDBLELCCPK-UHFFFAOYSA-N
XLogP2.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 855224) is N-cyclopentyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCn1c(SCC(=O)NC2CCCC2)nnc1C(C)C.
What is the InChIKey of N-cyclopentyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is SMYBEDBLELCCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-9-19-14(11(2)3)17-18-15(19)21-10-13(20)16-12-7-5-6-8-12/h11-12H,4-10H2,1-3H3,(H,16,20).
What are the key properties of N-cyclopentyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 310.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 855224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).