N-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide

C9H20N2O3S — CID 70811598

IUPACN-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide
SMILESCC(C)N1CCOCC1CNS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-8(2)11-4-5-14-7-9(11)6-10-15(3,12)13/h8-10H,4-7H2,1-3H3
InChIKeyCFHVDIJPFHAYPF-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.36
Rot. Bonds4

About N-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide

N-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide (PubChem CID 70811598) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide
PubChem CID70811598
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide
SMILESCC(C)N1CCOCC1CNS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-8(2)11-4-5-14-7-9(11)6-10-15(3,12)13/h8-10H,4-7H2,1-3H3
InChIKeyCFHVDIJPFHAYPF-UHFFFAOYSA-N
XLogP-0.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide
CID 20656529
N-(2-morpholin-4-ylpropyl)propane-1-sulfonamide
CID 75414492
1-[(2S)-1-methoxypropan-2-yl]-4-methylsulfonylpiperazine
CID 96449422
N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide
CID 131925098
[4-(Difluoromethylsulfonyl)morpholin-3-yl]methanamine
CID 116447562
N-(4-morpholinobut-2-yn-1-yl)methanesulfonamide
CID 71792737
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide
CID 155901959
N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 1237764
N-[3-(morpholin-4-yl)propyl]methanesulfonamide
CID 3299519
N-(2-morpholin-4-ylethyl)ethanesulfonamide
CID 19685555
N-(4-morpholin-4-ylbutyl)methanesulfonamide
CID 20656530
N'-(1-morpholin-3-ylpropyl)methanedisulfonamide
CID 21271199

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide (CID 70811598) is N-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide is CC(C)N1CCOCC1CNS(C)(=O)=O.
What is the InChIKey of N-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide?
The InChIKey is CFHVDIJPFHAYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(2)11-4-5-14-7-9(11)6-10-15(3,12)13/h8-10H,4-7H2,1-3H3.
What are the key properties of N-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide?
N-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 70811598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).