2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)propanamide

C13H23N5OS — CID 47120958

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)propanamide
SMILESCC(Sc1nnnn1C1CC1)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C13H23N5OS/c1-8(2)17(9(3)4)12(19)10(5)20-13-14-15-16-18(13)11-6-7-11/h8-11H,6-7H2,1-5H3
InChIKeyUQOYBHGVNRRLOL-UHFFFAOYSA-N
MW297.43 g/mol
LogP2.13
Rot. Bonds6

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)propanamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)propanamide (PubChem CID 47120958) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)propanamide
PubChem CID47120958
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)propanamide
SMILESCC(Sc1nnnn1C1CC1)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C13H23N5OS/c1-8(2)17(9(3)4)12(19)10(5)20-13-14-15-16-18(13)11-6-7-11/h8-11H,6-7H2,1-5H3
InChIKeyUQOYBHGVNRRLOL-UHFFFAOYSA-N
XLogP2.13
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)propanamide (CID 47120958) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)propanamide is CC(Sc1nnnn1C1CC1)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)propanamide?
The InChIKey is UQOYBHGVNRRLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-8(2)17(9(3)4)12(19)10(5)20-13-14-15-16-18(13)11-6-7-11/h8-11H,6-7H2,1-5H3.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)propanamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)propanamide has a molecular weight of 297.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 47120958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).