N-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide

C10H19N7OS — CID 21295360

IUPACN-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide
SMILESCn1nnnc1SCCCCC(=O)NC1NCCN1
InChIInChI=1S/C10H19N7OS/c1-17-10(14-15-16-17)19-7-3-2-4-8(18)13-9-11-5-6-12-9/h9,11-12H,2-7H2,1H3,(H,13,18)
InChIKeyLKCPFSOYONGROC-UHFFFAOYSA-N
MW285.38 g/mol
LogP-0.93
Rot. Bonds7

About N-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide

N-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide (PubChem CID 21295360) has the molecular formula C10H19N7OS and a molecular weight of 285.38 g/mol. Its IUPAC name is N-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide.

Molecular Properties

Compound NameN-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide
PubChem CID21295360
Molecular FormulaC10H19N7OS
Molecular Weight285.38 g/mol
Exact Mass285.14
IUPAC NameN-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide
SMILESCn1nnnc1SCCCCC(=O)NC1NCCN1
InChIInChI=1S/C10H19N7OS/c1-17-10(14-15-16-17)19-7-3-2-4-8(18)13-9-11-5-6-12-9/h9,11-12H,2-7H2,1H3,(H,13,18)
InChIKeyLKCPFSOYONGROC-UHFFFAOYSA-N
XLogP-0.93
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide?
The IUPAC name of N-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide (CID 21295360) is N-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide.
What is the SMILES notation for N-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide?
The canonical SMILES for N-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide is Cn1nnnc1SCCCCC(=O)NC1NCCN1.
What is the InChIKey of N-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide?
The InChIKey is LKCPFSOYONGROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N7OS/c1-17-10(14-15-16-17)19-7-3-2-4-8(18)13-9-11-5-6-12-9/h9,11-12H,2-7H2,1H3,(H,13,18).
What are the key properties of N-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide?
N-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide has a molecular weight of 285.38 g/mol, XLogP of -0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-imidazolidin-2-yl-5-(1-methyltetrazol-5-yl)sulfanylpentanamide is sourced from PubChem (CID 21295360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).