N,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide

C9H17N5OS — CID 47080270

IUPACN,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide
SMILESCC(C)C(Sc1nnnn1C)C(=O)N(C)C
InChIInChI=1S/C9H17N5OS/c1-6(2)7(8(15)13(3)4)16-9-10-11-12-14(9)5/h6-7H,1-5H3
InChIKeyGNBMSNTZQCJQRG-UHFFFAOYSA-N
MW243.34 g/mol
LogP0.41
Rot. Bonds4

About N,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide

N,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide (PubChem CID 47080270) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is N,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide
PubChem CID47080270
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC NameN,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide
SMILESCC(C)C(Sc1nnnn1C)C(=O)N(C)C
InChIInChI=1S/C9H17N5OS/c1-6(2)7(8(15)13(3)4)16-9-10-11-12-14(9)5/h6-7H,1-5H3
InChIKeyGNBMSNTZQCJQRG-UHFFFAOYSA-N
XLogP0.41
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The IUPAC name of N,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide (CID 47080270) is N,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide.
What is the SMILES notation for N,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The canonical SMILES for N,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide is CC(C)C(Sc1nnnn1C)C(=O)N(C)C.
What is the InChIKey of N,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide?
The InChIKey is GNBMSNTZQCJQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-6(2)7(8(15)13(3)4)16-9-10-11-12-14(9)5/h6-7H,1-5H3.
What are the key properties of N,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide?
N,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide has a molecular weight of 243.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide is sourced from PubChem (CID 47080270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).