(R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide

C13H25NOS — CID 46177920

IUPAC(R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide
SMILESCCCC#C[C@H](N[S@](=O)C(C)(C)C)C(C)C
InChIInChI=1S/C13H25NOS/c1-7-8-9-10-12(11(2)3)14-16(15)13(4,5)6/h11-12,14H,7-8H2,1-6H3/t12-,16+/m0/s1
InChIKeyPDCYUQLNHYIGKW-BLLLJJGKSA-N
MW243.42 g/mol
LogP2.87
Rot. Bonds4

About (R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide (PubChem CID 46177920) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is (R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide
PubChem CID46177920
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name(R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide
SMILESCCCC#C[C@H](N[S@](=O)C(C)(C)C)C(C)C
InChIInChI=1S/C13H25NOS/c1-7-8-9-10-12(11(2)3)14-16(15)13(4,5)6/h11-12,14H,7-8H2,1-6H3/t12-,16+/m0/s1
InChIKeyPDCYUQLNHYIGKW-BLLLJJGKSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide (CID 46177920) is (R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide is CCCC#C[C@H](N[S@](=O)C(C)(C)C)C(C)C.
What is the InChIKey of (R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide?
The InChIKey is PDCYUQLNHYIGKW-BLLLJJGKSA-N. The full InChI is InChI=1S/C13H25NOS/c1-7-8-9-10-12(11(2)3)14-16(15)13(4,5)6/h11-12,14H,7-8H2,1-6H3/t12-,16+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide has a molecular weight of 243.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(3R)-2-methyloct-4-yn-3-yl]propane-2-sulfinamide is sourced from PubChem (CID 46177920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).