(S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide

C14H25NOS — CID 139182387

IUPAC(S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide
SMILESC=CC[C@]1(N[S@@](=O)C(C)(C)C)C=CCCCC1
InChIInChI=1S/C14H25NOS/c1-5-10-14(11-8-6-7-9-12-14)15-17(16)13(2,3)4/h5,8,11,15H,1,6-7,9-10,12H2,2-4H3/t14-,17-/m0/s1
InChIKeyRKDYABRUCGQVBN-YOEHRIQHSA-N
MW255.43 g/mol
LogP3.48
Rot. Bonds4

About (S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide (PubChem CID 139182387) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide
PubChem CID139182387
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name(S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide
SMILESC=CC[C@]1(N[S@@](=O)C(C)(C)C)C=CCCCC1
InChIInChI=1S/C14H25NOS/c1-5-10-14(11-8-6-7-9-12-14)15-17(16)13(2,3)4/h5,8,11,15H,1,6-7,9-10,12H2,2-4H3/t14-,17-/m0/s1
InChIKeyRKDYABRUCGQVBN-YOEHRIQHSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide (CID 139182387) is (S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide is C=CC[C@]1(N[S@@](=O)C(C)(C)C)C=CCCCC1.
What is the InChIKey of (S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide?
The InChIKey is RKDYABRUCGQVBN-YOEHRIQHSA-N. The full InChI is InChI=1S/C14H25NOS/c1-5-10-14(11-8-6-7-9-12-14)15-17(16)13(2,3)4/h5,8,11,15H,1,6-7,9-10,12H2,2-4H3/t14-,17-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide has a molecular weight of 255.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide is sourced from PubChem (CID 139182387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).