2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide

C14H25N5OS — CID 653196

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nnnn1C1CCCC1)C(C)C
InChIInChI=1S/C14H25N5OS/c1-10(2)18(11(3)4)13(20)9-21-14-15-16-17-19(14)12-7-5-6-8-12/h10-12H,5-9H2,1-4H3
InChIKeySMELSAWJIUMHPL-UHFFFAOYSA-N
MW311.46 g/mol
LogP2.53
Rot. Bonds6

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide (PubChem CID 653196) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
PubChem CID653196
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nnnn1C1CCCC1)C(C)C
InChIInChI=1S/C14H25N5OS/c1-10(2)18(11(3)4)13(20)9-21-14-15-16-17-19(14)12-7-5-6-8-12/h10-12H,5-9H2,1-4H3
InChIKeySMELSAWJIUMHPL-UHFFFAOYSA-N
XLogP2.53
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide (CID 653196) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CSc1nnnn1C1CCCC1)C(C)C.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The InChIKey is SMELSAWJIUMHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-10(2)18(11(3)4)13(20)9-21-14-15-16-17-19(14)12-7-5-6-8-12/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide has a molecular weight of 311.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 653196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).