1-tert-butyl-4-[(sulfamoylamino)methyl]piperidine

C10H23N3O2S — CID 175903631

IUPAC1-tert-butyl-4-[(sulfamoylamino)methyl]piperidine
SMILESCC(C)(C)N1CCC(CNS(N)(=O)=O)CC1
InChIInChI=1S/C10H23N3O2S/c1-10(2,3)13-6-4-9(5-7-13)8-12-16(11,14)15/h9,12H,4-8H2,1-3H3,(H2,11,14,15)
InChIKeyWXSYPFCPKYMMNU-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.29
Rot. Bonds3

About 1-tert-butyl-4-[(sulfamoylamino)methyl]piperidine

1-tert-butyl-4-[(sulfamoylamino)methyl]piperidine (PubChem CID 175903631) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-tert-butyl-4-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[(sulfamoylamino)methyl]piperidine
PubChem CID175903631
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name1-tert-butyl-4-[(sulfamoylamino)methyl]piperidine
SMILESCC(C)(C)N1CCC(CNS(N)(=O)=O)CC1
InChIInChI=1S/C10H23N3O2S/c1-10(2,3)13-6-4-9(5-7-13)8-12-16(11,14)15/h9,12H,4-8H2,1-3H3,(H2,11,14,15)
InChIKeyWXSYPFCPKYMMNU-UHFFFAOYSA-N
XLogP0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Aminoethyl)piperidine-1-sulfonamide hydrochloride
CID 12282079
4-(Aminomethyl)piperidine-1-sulfonamide hydrochloride
CID 154963565
N-[2-(1-methylpiperidin-4-yl)ethyl]methanesulfonamide
CID 72025553
4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide hydrochloride
CID 71756529
N-cyclopentyl-4-methylpiperidine-1-sulfonamide
CID 43053240
4-methyl-N-(3-methylbutan-2-yl)piperidine-1-sulfonamide
CID 43053258
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide
CID 71975842
N-(2-amino-2-ethylbutyl)piperidine-1-sulfonamide
CID 91645913
N-(4-methyl-4-piperidinyl)-1-pyrrolidinesulfonamide hydrochloride
CID 114696701
4-(2-Aminoethyl)piperidine-1-sulfonamide
CID 12282078
N-[2-(piperidin-4-yl)ethyl]aminosulfonamide
CID 114959087
N-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 127770386

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-tert-butyl-4-[(sulfamoylamino)methyl]piperidine (CID 175903631) is 1-tert-butyl-4-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[(sulfamoylamino)methyl]piperidine is CC(C)(C)N1CCC(CNS(N)(=O)=O)CC1.
What is the InChIKey of 1-tert-butyl-4-[(sulfamoylamino)methyl]piperidine?
The InChIKey is WXSYPFCPKYMMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-10(2,3)13-6-4-9(5-7-13)8-12-16(11,14)15/h9,12H,4-8H2,1-3H3,(H2,11,14,15).
What are the key properties of 1-tert-butyl-4-[(sulfamoylamino)methyl]piperidine?
1-tert-butyl-4-[(sulfamoylamino)methyl]piperidine has a molecular weight of 249.38 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 175903631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).