(R)-N-[(3R)-2,2-dimethylnon-4-yn-3-yl]-2-methylpropane-2-sulfinamide

C15H29NOS — CID 46177993

IUPAC(R)-N-[(3R)-2,2-dimethylnon-4-yn-3-yl]-2-methylpropane-2-sulfinamide
SMILESCCCCC#C[C@H](N[S@](=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NOS/c1-8-9-10-11-12-13(14(2,3)4)16-18(17)15(5,6)7/h13,16H,8-10H2,1-7H3/t13-,18+/m0/s1
InChIKeyNOZPPKGWHNOAEN-SCLBCKFNSA-N
MW271.47 g/mol
LogP3.65
Rot. Bonds4

About (R)-N-[(3R)-2,2-dimethylnon-4-yn-3-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(3R)-2,2-dimethylnon-4-yn-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 46177993) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is (R)-N-[(3R)-2,2-dimethylnon-4-yn-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(3R)-2,2-dimethylnon-4-yn-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID46177993
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name(R)-N-[(3R)-2,2-dimethylnon-4-yn-3-yl]-2-methylpropane-2-sulfinamide
SMILESCCCCC#C[C@H](N[S@](=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NOS/c1-8-9-10-11-12-13(14(2,3)4)16-18(17)15(5,6)7/h13,16H,8-10H2,1-7H3/t13-,18+/m0/s1
InChIKeyNOZPPKGWHNOAEN-SCLBCKFNSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(3R)-2,2-dimethylnon-4-yn-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(3R)-2,2-dimethylnon-4-yn-3-yl]-2-methylpropane-2-sulfinamide (CID 46177993) is (R)-N-[(3R)-2,2-dimethylnon-4-yn-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(3R)-2,2-dimethylnon-4-yn-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(3R)-2,2-dimethylnon-4-yn-3-yl]-2-methylpropane-2-sulfinamide is CCCCC#C[C@H](N[S@](=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (R)-N-[(3R)-2,2-dimethylnon-4-yn-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is NOZPPKGWHNOAEN-SCLBCKFNSA-N. The full InChI is InChI=1S/C15H29NOS/c1-8-9-10-11-12-13(14(2,3)4)16-18(17)15(5,6)7/h13,16H,8-10H2,1-7H3/t13-,18+/m0/s1.
What are the key properties of (R)-N-[(3R)-2,2-dimethylnon-4-yn-3-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(3R)-2,2-dimethylnon-4-yn-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 271.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(3R)-2,2-dimethylnon-4-yn-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 46177993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).