(R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide

C13H27NOS — CID 146474161

IUPAC(R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide
SMILESC=CC[C@@](C)(CCCC)N[S@](=O)C(C)(C)C
InChIInChI=1S/C13H27NOS/c1-7-9-11-13(6,10-8-2)14-16(15)12(3,4)5/h8,14H,2,7,9-11H2,1,3-6H3/t13-,16+/m0/s1
InChIKeyUNDGQDNETBXNSU-XJKSGUPXSA-N
MW245.43 g/mol
LogP3.56
Rot. Bonds7

About (R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide (PubChem CID 146474161) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is (R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide
PubChem CID146474161
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name(R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide
SMILESC=CC[C@@](C)(CCCC)N[S@](=O)C(C)(C)C
InChIInChI=1S/C13H27NOS/c1-7-9-11-13(6,10-8-2)14-16(15)12(3,4)5/h8,14H,2,7,9-11H2,1,3-6H3/t13-,16+/m0/s1
InChIKeyUNDGQDNETBXNSU-XJKSGUPXSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 125475744
(S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 134925990
(S)-N-[(4R)-4,6-dimethylhept-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 134965670
(R)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 135000202
(S)-2-methyl-N-[(1S)-1-prop-2-enylcyclohept-2-en-1-yl]propane-2-sulfinamide
CID 139182387
N-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen
CID 164871229
2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide
CID 164871827
2-methyl-N-(1-prop-2-enylcyclopentyl)propane-2-sulfinamide
CID 170428853
Tert-butyl-(4-methyloct-1-en-4-ylamino)-oxidosulfanium
CID 173848232
tert-butyl-[[(4R)-4-methyloct-1-en-4-yl]amino]-oxidosulfanium
CID 173851723
Tert-butyl-oxido-(2-propylhex-5-enylamino)sulfanium
CID 173912839
2-Methylbut-3-en-2-yl-[(1-methylcyclopentyl)amino]-oxidosulfanium
CID 175492445

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide (CID 146474161) is (R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide is C=CC[C@@](C)(CCCC)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide?
The InChIKey is UNDGQDNETBXNSU-XJKSGUPXSA-N. The full InChI is InChI=1S/C13H27NOS/c1-7-9-11-13(6,10-8-2)14-16(15)12(3,4)5/h8,14H,2,7,9-11H2,1,3-6H3/t13-,16+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide has a molecular weight of 245.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide is sourced from PubChem (CID 146474161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).