(S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide

C12H26N2O3S2 — CID 161006568

IUPAC(S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide
SMILESCC1CCC(CN)(N[S@@](=O)C(C)(C)C)CC1.O=S=O
InChIInChI=1S/C12H26N2OS.O2S/c1-10-5-7-12(9-13,8-6-10)14-16(15)11(2,3)4;1-3-2/h10,14H,5-9,13H2,1-4H3;/t10?,12?,16-;/m0./s1
InChIKeyTWORHXGKWPUCNC-VRJDZXFQSA-N
MW310.49 g/mol
LogP1.28
Rot. Bonds3

About (S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide

(S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide (PubChem CID 161006568) has the molecular formula C12H26N2O3S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is (S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide.

Molecular Properties

Compound Name(S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide
PubChem CID161006568
Molecular FormulaC12H26N2O3S2
Molecular Weight310.49 g/mol
Exact Mass310.14
IUPAC Name(S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide
SMILESCC1CCC(CN)(N[S@@](=O)C(C)(C)C)CC1.O=S=O
InChIInChI=1S/C12H26N2OS.O2S/c1-10-5-7-12(9-13,8-6-10)14-16(15)11(2,3)4;1-3-2/h10,14H,5-9,13H2,1-4H3;/t10?,12?,16-;/m0./s1
InChIKeyTWORHXGKWPUCNC-VRJDZXFQSA-N
XLogP1.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]methanesulfonamide
CID 16227899
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940710
N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068012
N-[(1-aminocyclohexyl)methyl]methanesulfonamide
CID 43598238
N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide
CID 58874312
N-[(4-aminocyclohexyl)methyl]ethanesulfonamide
CID 59230926
[(trans-4-Aminocyclohexyl)methyl][(methylethyl)sulfonyl]amine
CID 59230939
N-[(4-aminocyclohexyl)methyl]-2-methylpropane-2-sulfonamide
CID 59231490
2-methyl-N-(4-methylcyclohexyl)propane-2-sulfonamide
CID 59582578
[trans-4-(Aminomethyl)cyclohexyl][(methylethyl)sulfonyl]amine
CID 68898538
N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide
CID 68898541
N-[(4-aminocyclohexyl)methyl]propane-1-sulfonamide
CID 69473706

Frequently Asked Questions

What is the IUPAC name of (S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide?
The IUPAC name of (S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide (CID 161006568) is (S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide.
What is the SMILES notation for (S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide?
The canonical SMILES for (S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide is CC1CCC(CN)(N[S@@](=O)C(C)(C)C)CC1.O=S=O.
What is the InChIKey of (S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide?
The InChIKey is TWORHXGKWPUCNC-VRJDZXFQSA-N. The full InChI is InChI=1S/C12H26N2OS.O2S/c1-10-5-7-12(9-13,8-6-10)14-16(15)11(2,3)4;1-3-2/h10,14H,5-9,13H2,1-4H3;/t10?,12?,16-;/m0./s1.
What are the key properties of (S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide?
(S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide has a molecular weight of 310.49 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpropane-2-sulfinamide;sulfur dioxide is sourced from PubChem (CID 161006568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).