1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine

C10H24N4O2S — CID 111780415

IUPAC1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine
SMILESC/N=C(/NCC(C)(C)NS(C)(=O)=O)NC(C)C
InChIInChI=1S/C10H24N4O2S/c1-8(2)13-9(11-5)12-7-10(3,4)14-17(6,15)16/h8,14H,7H2,1-6H3,(H2,11,12,13)
InChIKeyWDIUFWASCFOQAC-UHFFFAOYSA-N
MW264.39 g/mol
LogP-0.11
Rot. Bonds5

About 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine

1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine (PubChem CID 111780415) has the molecular formula C10H24N4O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine
PubChem CID111780415
Molecular FormulaC10H24N4O2S
Molecular Weight264.39 g/mol
Exact Mass264.16
IUPAC Name1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine
SMILESC/N=C(/NCC(C)(C)NS(C)(=O)=O)NC(C)C
InChIInChI=1S/C10H24N4O2S/c1-8(2)13-9(11-5)12-7-10(3,4)14-17(6,15)16/h8,14H,7H2,1-6H3,(H2,11,12,13)
InChIKeyWDIUFWASCFOQAC-UHFFFAOYSA-N
XLogP-0.11
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine
CID 111779531
1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(7-methyloctyl)guanidine;hydroiodide
CID 111782379
1-[2-(methanesulfonamido)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111779047
1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111784313
1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111787580
1-[(4-chlorophenyl)methyl]-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine
CID 111780621
1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111783129
N-[2-(methanesulfonamido)-2-methylpropyl]-2-(propan-2-ylamino)acetamide
CID 63865581
(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide
CID 63865932
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine
CID 111783505
N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide
CID 107030203
(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide
CID 78952829

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine?
The IUPAC name of 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine (CID 111780415) is 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine.
What is the SMILES notation for 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine?
The canonical SMILES for 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine is C/N=C(/NCC(C)(C)NS(C)(=O)=O)NC(C)C.
What is the InChIKey of 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine?
The InChIKey is WDIUFWASCFOQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O2S/c1-8(2)13-9(11-5)12-7-10(3,4)14-17(6,15)16/h8,14H,7H2,1-6H3,(H2,11,12,13).
What are the key properties of 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine?
1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine has a molecular weight of 264.39 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine is sourced from PubChem (CID 111780415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).