N-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide

C10H22N2OS — CID 155408726

IUPACN-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H]1CCCNCC1
InChIInChI=1S/C10H22N2OS/c1-10(2,3)14(13)12-9-5-4-7-11-8-6-9/h9,11-12H,4-8H2,1-3H3/t9-,14?/m1/s1
InChIKeyJOZKKLCWJCFOSW-UCWRFOARSA-N
MW218.37 g/mol
LogP1.18
Rot. Bonds2

About N-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide

N-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 155408726) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is N-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID155408726
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC NameN-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H]1CCCNCC1
InChIInChI=1S/C10H22N2OS/c1-10(2,3)14(13)12-9-5-4-7-11-8-6-9/h9,11-12H,4-8H2,1-3H3/t9-,14?/m1/s1
InChIKeyJOZKKLCWJCFOSW-UCWRFOARSA-N
XLogP1.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-N-(7-azaspiro[3.5]nonan-2-yl)-2-methylpropane-2-sulfinamide
CID 139427337
N-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide
CID 89030418
N-(2-methylbut-3-yn-2-yl)azepan-4-amine
CID 103982190
N-(azepan-4-yl)-2-methoxy-2-methylpropanamide
CID 107172264
1-(azepan-4-ylamino)-2-methylbutan-2-ol
CID 103982302
N-(2-methylcyclopropyl)azepan-4-amine
CID 103982013
ethyl 4-(tert-butylsulfinylamino)cyclohexane-1-carboxylate
CID 23154158
N-(azepan-4-yl)but-2-ynamide
CID 107990995
N-(azepan-4-yl)dodecanamide
CID 105060891
N-(azepan-4-yl)cyclopentanesulfonamide
CID 107172836
N-[2-(azepan-4-ylamino)ethyl]acetamide
CID 103980758
methyl (2S)-2-(azepan-4-ylamino)propanoate
CID 103981308

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide (CID 155408726) is N-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H]1CCCNCC1.
What is the InChIKey of N-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is JOZKKLCWJCFOSW-UCWRFOARSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-10(2,3)14(13)12-9-5-4-7-11-8-6-9/h9,11-12H,4-8H2,1-3H3/t9-,14?/m1/s1.
What are the key properties of N-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide?
N-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 218.37 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 155408726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).