N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide

C13H29N5O3S — CID 139973185

IUPACN-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCNCCNCCNCCNS(C)(=O)=O
InChIInChI=1S/C13H29N5O3S/c1-12(2)13(19)17-10-8-15-6-4-14-5-7-16-9-11-18-22(3,20)21/h14-16,18H,1,4-11H2,2-3H3,(H,17,19)
InChIKeyJVTSBKYZQFLMHQ-UHFFFAOYSA-N
MW335.47 g/mol
LogP-2.00
Rot. Bonds14

About N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide

N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide (PubChem CID 139973185) has the molecular formula C13H29N5O3S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide
PubChem CID139973185
Molecular FormulaC13H29N5O3S
Molecular Weight335.47 g/mol
Exact Mass335.20
IUPAC NameN-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCNCCNCCNCCNS(C)(=O)=O
InChIInChI=1S/C13H29N5O3S/c1-12(2)13(19)17-10-8-15-6-4-14-5-7-16-9-11-18-22(3,20)21/h14-16,18H,1,4-11H2,2-3H3,(H,17,19)
InChIKeyJVTSBKYZQFLMHQ-UHFFFAOYSA-N
XLogP-2.00
TPSA111.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 5-2.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide
CID 87508731
N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide
CID 123448729
N-[4-(methanesulfonamido)butan-2-yl]-2-methylprop-2-enamide
CID 139973186
ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide
CID 145071357
2-methyl-N-[2-(2-pyridin-1-ium-1-ylethylamino)ethyl]prop-2-enamide
CID 175239345
N-[2-(2-methylidenebutylamino)ethyl]methanesulfonamide
CID 66047591
N-[2-(methanesulfonamido)ethyl]-2-methoxyacetamide
CID 60729923
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
3-[2-(methanesulfonamido)ethylamino]-3-oxopropanoic acid
CID 62230209
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100
3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
CID 62728659

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide (CID 139973185) is N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCNCCNCCNCCNS(C)(=O)=O.
What is the InChIKey of N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide?
The InChIKey is JVTSBKYZQFLMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5O3S/c1-12(2)13(19)17-10-8-15-6-4-14-5-7-16-9-11-18-22(3,20)21/h14-16,18H,1,4-11H2,2-3H3,(H,17,19).
What are the key properties of N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide?
N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide has a molecular weight of 335.47 g/mol, XLogP of -2.00, 14 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 139973185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).