2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide

C12H21N5O2S — CID 62516881

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
SMILESCCC(CC)(CO)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C12H21N5O2S/c1-3-12(4-2,8-18)13-10(19)7-20-11-14-15-16-17(11)9-5-6-9/h9,18H,3-8H2,1-2H3,(H,13,19)
InChIKeyWVUHCZHXNDFMIJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.77
Rot. Bonds8

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide (PubChem CID 62516881) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
PubChem CID62516881
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
SMILESCCC(CC)(CO)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C12H21N5O2S/c1-3-12(4-2,8-18)13-10(19)7-20-11-14-15-16-17(11)9-5-6-9/h9,18H,3-8H2,1-2H3,(H,13,19)
InChIKeyWVUHCZHXNDFMIJ-UHFFFAOYSA-N
XLogP0.77
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide (CID 62516881) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide is CCC(CC)(CO)NC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The InChIKey is WVUHCZHXNDFMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-3-12(4-2,8-18)13-10(19)7-20-11-14-15-16-17(11)9-5-6-9/h9,18H,3-8H2,1-2H3,(H,13,19).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide has a molecular weight of 299.40 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide is sourced from PubChem (CID 62516881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).