propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate

C9H20N2O4S — CID 106336503

IUPACpropan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate
SMILESCC(C)OC(=O)CNCCCNS(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-8(2)15-9(12)7-10-5-4-6-11-16(3,13)14/h8,10-11H,4-7H2,1-3H3
InChIKeyUVSKDCJZKDICRN-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.53
Rot. Bonds8

About propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate

propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate (PubChem CID 106336503) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate
PubChem CID106336503
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Namepropan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate
SMILESCC(C)OC(=O)CNCCCNS(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-8(2)15-9(12)7-10-5-4-6-11-16(3,13)14/h8,10-11H,4-7H2,1-3H3
InChIKeyUVSKDCJZKDICRN-UHFFFAOYSA-N
XLogP-0.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate
CID 106036436
butyl 2-[3-(methanesulfonamido)propylamino]acetate
CID 106336288
propan-2-yl 2-(2-methylsulfanylethylamino)acetate
CID 63964446
2-[4-(methanesulfonamido)butylamino]acetic acid
CID 169025259
2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide
CID 106336845
4-[3-(methanesulfonamido)propylamino]butanoic acid
CID 106336425
3-[3-(methanesulfonamido)propylamino]butanoic acid
CID 106336520
N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide
CID 106332723
2-chloro-N-[3-(methanesulfonamido)propyl]propanamide
CID 103881559
methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate
CID 106340200
heptadecan-9-yl 8-[3-(methanesulfonamido)propylamino]octanoate
CID 164552008
propan-2-yl 2-[2-(trifluoromethylsulfanyl)ethylamino]acetate
CID 106429252

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate?
The IUPAC name of propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate (CID 106336503) is propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate?
The canonical SMILES for propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate is CC(C)OC(=O)CNCCCNS(C)(=O)=O.
What is the InChIKey of propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate?
The InChIKey is UVSKDCJZKDICRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-8(2)15-9(12)7-10-5-4-6-11-16(3,13)14/h8,10-11H,4-7H2,1-3H3.
What are the key properties of propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate?
propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate has a molecular weight of 252.34 g/mol, XLogP of -0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate is sourced from PubChem (CID 106336503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).